 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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                  8.279540D+00          -1.036900D-01
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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            S    20   1.00
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                  1.349768D+05          -8.570592D-06
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                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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                  1.340980D-01           1.971989D+00
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            S    1   1.00
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            ****
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                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
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            D    8   1.00
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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                  1.331400D+00          -1.187120D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
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                  1.750446D+00           2.750453D-01
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                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
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            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.2267020              0.3908730
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            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
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            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
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            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
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            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
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                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
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            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9107951/Gau-26675.inp" -scrdir="/scratch/9107951/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     26676.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Jan-2022 
 ******************************************
 %rwf=29_neopentane_conformer01_M11_augccpVDZ
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=29_neopentane_conformer01_M11_augccpVDZ
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120,Tight) Polar=
 ROA Guess=Read CPHF=RdFreq
 ----------------------------------------------------------------------
 1/38=1,83=21,172=1/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=7,11=2,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jan 27 18:33:01 2022, MaxMem=  5368709120 cpu:               0.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Symbolic Z-matrix:
 Charge =  0 Multiplicity = 1
 C                    -0.00002   0.00003  -0.00004 
 C                     1.15502   0.32368  -0.95514 
 C                    -0.98677  -0.94679  -0.69353 
 C                    -0.7217    1.2963    0.38711 
 C                     0.55346  -0.67319   1.26155 
 H                     0.78831   0.80512  -1.86467 
 H                     1.68779  -0.58415  -1.24761 
 H(Iso=2)              1.87461   0.99823  -0.48536 
 H(Iso=2)             -1.39696  -0.49152  -1.59796 
 H(Iso=2)             -1.82196  -1.19399  -0.03408 
 H(Iso=2)             -0.498    -1.88082  -0.98025 
 H                    -1.12694   1.79763  -0.49491 
 H                    -0.0404    1.99071   0.88422 
 H                    -1.55113   1.09438   1.06887 
 H                     1.07404  -1.60128   1.01424 
 H(Iso=2)             -0.24997  -0.91551   1.96107 
 H(Iso=2)              1.26069  -0.01899   1.77668 
 
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           1           2           2           2
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   2.0141018   2.0141018   2.0141018
 NucSpn=           0           0           0           0           0           1           1           2           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.2860000   0.2860000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   0.8574380   0.8574380   0.8574380
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           2           1           1           1           1           2           2
 AtmWgt=   2.0141018   1.0078250   1.0078250   1.0078250   1.0078250   2.0141018   2.0141018
 NucSpn=           2           1           1           1           1           2           2
 AtZEff=  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000  -0.0000000
 NQMom=    0.2860000   0.0000000   0.0000000   0.0000000   0.0000000   0.2860000   0.2860000
 NMagM=    0.8574380   2.7928460   2.7928460   2.7928460   2.7928460   0.8574380   0.8574380
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jan 27 18:33:03 2022, MaxMem=  5368709120 cpu:               1.1 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.155022    0.323679   -0.955136
      3          6           0       -0.986772   -0.946789   -0.693528
      4          6           0       -0.721704    1.296298    0.387111
      5          6           0        0.553456   -0.673191    1.261549
      6          1           0        0.788307    0.805116   -1.864672
      7          1           0        1.687788   -0.584146   -1.247607
      8          1           0        1.874611    0.998230   -0.485358
      9          1           0       -1.396955   -0.491517   -1.597957
     10          1           0       -1.821960   -1.193991   -0.034081
     11          1           0       -0.497996   -1.880817   -0.980249
     12          1           0       -1.126942    1.797626   -0.494914
     13          1           0       -0.040399    1.990713    0.884223
     14          1           0       -1.551128    1.094379    1.068868
     15          1           0        1.074043   -1.601281    1.014241
     16          1           0       -0.249965   -0.915510    1.961070
     17          1           0        1.260692   -0.018986    1.776681
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.533323   0.000000
     3  C    1.533324   2.503959   0.000000
     4  C    1.533304   2.503940   2.503893   0.000000
     5  C    1.533350   2.503862   2.503894   2.503909   0.000000
     6  H    2.178642   1.092482   2.755296   2.755344   3.466094
     7  H    2.178620   1.092486   2.755319   3.466125   2.755087
     8  H    2.178571   1.092483   3.466114   2.755158   2.755138
     9  H    2.178624   2.755059   1.092481   2.755493   3.466105
    10  H    2.178606   3.466134   1.092483   2.754906   2.755447
    11  H    2.178621   2.755522   1.092483   3.466090   2.754917
    12  H    2.178579   2.755301   2.755160   1.092481   3.466098
    13  H    2.178614   2.755227   3.466098   1.092478   2.755254
    14  H    2.178554   3.466096   2.755160   1.092478   2.755123
    15  H    2.178662   2.755082   2.755321   3.466116   1.092485
    16  H    2.178677   3.466098   2.755132   2.755355   1.092490
    17  H    2.178641   2.755251   3.466099   2.755135   1.092487
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.766319   0.000000
     8  H    1.766312   1.766307   0.000000
     9  H    2.554949   3.105956   3.763026   0.000000
    10  H    3.763109   3.763361   4.321356   1.766298   0.000000
    11  H    3.106608   2.555482   3.763388   1.766308   1.766308
    12  H    2.555287   3.763255   3.106195   2.555345   3.105671
    13  H    3.106255   3.763141   2.555003   3.763367   3.762922
    14  H    3.763281   4.321352   3.763051   3.106572   2.554698
    15  H    3.763048   2.554839   3.105988   3.763109   3.106718
    16  H    4.321442   3.763017   3.763141   3.763247   2.555259
    17  H    3.763209   3.106145   2.555082   4.321407   3.763275
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.763252   0.000000
    13  H    4.321388   1.766317   0.000000
    14  H    3.762945   1.766325   1.766299   0.000000
    15  H    2.554885   4.321395   3.763151   3.763122   0.000000
    16  H    3.105591   3.763250   3.106388   2.555133   1.766285
    17  H    3.762986   3.763113   2.555036   3.105948   1.766298
                   16         17
    16  H    0.000000
    17  H    1.766307   0.000000
 Stoichiometry    C5H12
 Framework group  C1[X(C5H12)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.000018    0.000032   -0.000037
      2          6           0        1.157465    0.323628   -0.952192
      3          6           0       -0.987432   -0.943042   -0.697682
      4          6           0       -0.719745    1.296836    0.388951
      5          6           0        0.549714   -0.677425    1.260918
      6          1           0        0.793439    0.808051   -1.861223
      7          1           0        1.688898   -0.584578   -1.245901
      8          1           0        1.877569    0.995535   -0.479424
      9          1           0       -1.394989   -0.484706   -1.601750
     10          1           0       -1.824355   -1.190130   -0.040396
     11          1           0       -0.500053   -1.877374   -0.985787
     12          1           0       -1.122304    1.801163   -0.492591
     13          1           0       -0.037934    1.988619    0.889031
     14          1           0       -1.550852    1.094964    1.068669
     15          1           0        1.068843   -1.605982    1.012300
     16          1           0       -0.255507   -0.919795    1.958349
     17          1           0        1.257339   -0.025950    1.778967
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           4.0363665           3.8138837           3.6160712
 Leave Link  202 at Thu Jan 27 18:33:03 2022, MaxMem=  5368709120 cpu:               0.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     11     12     13     14     15
 Centers:      16     17
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  15 primitive shells out of 236 were deleted.
 There are   233 symmetry adapted cartesian basis functions of A   symmetry.
 There are   223 symmetry adapted basis functions of A   symmetry.
   223 basis functions,   379 primitive gaussians,   233 cartesian basis functions
    21 alpha electrons       21 beta electrons
       nuclear repulsion energy       198.5943013625 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jan 27 18:33:08 2022, MaxMem=  5368709120 cpu:              17.0 elap:               4.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   223 RedAO= T EigKep=  1.12D-05  NBF=   223
 NBsUse=   223 1.00D-06 EigRej= -1.00D+00 NBFU=   223
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   233   233   233   233   233 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jan 27 18:33:11 2022, MaxMem=  5368709120 cpu:               4.5 elap:               2.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jan 27 18:33:12 2022, MaxMem=  5368709120 cpu:               3.5 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "29_neopentane_conformer01_M11_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jan 27 18:33:14 2022, MaxMem=  5368709120 cpu:               2.5 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368596253 LenY=  5368541523
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -197.627180038020    
 DIIS: error= 6.30D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -197.627180038020     IErMin= 1 ErrMin= 6.30D-03
 ErrMax= 6.30D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.71D-03 BMatP= 6.71D-03
 IDIUse=3 WtCom= 9.37D-01 WtEn= 6.30D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.433 Goal=   None    Shift=    0.000
 GapD=    0.433 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=8.58D-03 MaxDP=1.32D+00              OVMax= 1.38D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.90D-03    CP:  8.46D-01
 E= -197.634192551020     Delta-E=       -0.007012512999 Rises=F Damp=F
 DIIS: error= 6.62D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -197.634192551020     IErMin= 2 ErrMin= 6.62D-04
 ErrMax= 6.62D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.13D-05 BMatP= 6.71D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 6.62D-03
 Coeff-Com: -0.602D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.598D-01 0.106D+01
 Gap=     0.408 Goal=   None    Shift=    0.000
 RMSDP=1.02D-03 MaxDP=5.61D-02 DE=-7.01D-03 OVMax= 3.03D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.25D-04    CP:  8.46D-01  1.12D+00
 E= -197.634322216457     Delta-E=       -0.000129665437 Rises=F Damp=F
 DIIS: error= 3.33D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -197.634322216457     IErMin= 3 ErrMin= 3.33D-04
 ErrMax= 3.33D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-05 BMatP= 8.13D-05
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.33D-03
 Coeff-Com: -0.201D-01 0.248D+00 0.772D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.200D-01 0.247D+00 0.773D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=8.86D-05 MaxDP=6.60D-03 DE=-1.30D-04 OVMax= 1.18D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.85D-05    CP:  8.48D-01  1.12D+00  1.08D+00
 E= -197.634334716335     Delta-E=       -0.000012499878 Rises=F Damp=F
 DIIS: error= 1.47D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -197.634334716335     IErMin= 4 ErrMin= 1.47D-04
 ErrMax= 1.47D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.49D-06 BMatP= 1.24D-05
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.47D-03
 Coeff-Com:  0.885D-03-0.699D-01 0.260D+00 0.809D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.884D-03-0.698D-01 0.260D+00 0.809D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=4.15D-05 MaxDP=1.86D-03 DE=-1.25D-05 OVMax= 4.02D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.83D-05    CP:  8.48D-01  1.13D+00  1.11D+00  1.01D+00
 E= -197.634337460563     Delta-E=       -0.000002744228 Rises=F Damp=F
 DIIS: error= 1.08D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -197.634337460563     IErMin= 5 ErrMin= 1.08D-05
 ErrMax= 1.08D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-08 BMatP= 2.49D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.915D-03-0.133D-01-0.197D-01 0.372D-01 0.995D+00
 Coeff:      0.915D-03-0.133D-01-0.197D-01 0.372D-01 0.995D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=5.88D-06 MaxDP=5.85D-04 DE=-2.74D-06 OVMax= 7.84D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.86D-06    CP:  8.48D-01  1.13D+00  1.11D+00  1.06D+00  1.07D+00
 E= -197.634337501850     Delta-E=       -0.000000041287 Rises=F Damp=F
 DIIS: error= 1.69D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -197.634337501850     IErMin= 6 ErrMin= 1.69D-06
 ErrMax= 1.69D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.94D-10 BMatP= 1.96D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.103D-03 0.296D-02-0.577D-02-0.239D-01-0.745D-01 0.110D+01
 Coeff:     -0.103D-03 0.296D-02-0.577D-02-0.239D-01-0.745D-01 0.110D+01
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=1.73D-06 MaxDP=1.52D-04 DE=-4.13D-08 OVMax= 1.16D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.92D-07    CP:  8.48D-01  1.13D+00  1.11D+00  1.07D+00  1.08D+00
                    CP:  1.16D+00
 E= -197.634337502960     Delta-E=       -0.000000001110 Rises=F Damp=F
 DIIS: error= 3.78D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -197.634337502960     IErMin= 7 ErrMin= 3.78D-07
 ErrMax= 3.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-11 BMatP= 4.94D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.375D-04 0.922D-03-0.923D-03-0.549D-02-0.303D-01 0.204D+00
 Coeff-Com:  0.832D+00
 Coeff:     -0.375D-04 0.922D-03-0.923D-03-0.549D-02-0.303D-01 0.204D+00
 Coeff:      0.832D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=3.08D-07 MaxDP=4.84D-05 DE=-1.11D-09 OVMax= 2.00D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.12D-07    CP:  8.48D-01  1.13D+00  1.11D+00  1.07D+00  1.08D+00
                    CP:  1.16D+00  1.12D+00
 E= -197.634337503013     Delta-E=       -0.000000000053 Rises=F Damp=F
 DIIS: error= 1.67D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -197.634337503013     IErMin= 8 ErrMin= 1.67D-07
 ErrMax= 1.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.02D-12 BMatP= 3.39D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.828D-05-0.238D-03 0.427D-03 0.199D-02 0.562D-02-0.113D+00
 Coeff-Com:  0.179D+00 0.926D+00
 Coeff:      0.828D-05-0.238D-03 0.427D-03 0.199D-02 0.562D-02-0.113D+00
 Coeff:      0.179D+00 0.926D+00
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=1.39D-07 MaxDP=1.89D-05 DE=-5.32D-11 OVMax= 6.07D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.36D-08    CP:  8.48D-01  1.13D+00  1.11D+00  1.07D+00  1.08D+00
                    CP:  1.17D+00  1.21D+00  1.11D+00
 E= -197.634337503012     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 1.11D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -197.634337503013     IErMin= 9 ErrMin= 1.11D-08
 ErrMax= 1.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-14 BMatP= 5.02D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.551D-06 0.189D-04-0.498D-04-0.164D-03-0.183D-03 0.107D-01
 Coeff-Com: -0.365D-01-0.989D-01 0.113D+01
 Coeff:     -0.551D-06 0.189D-04-0.498D-04-0.164D-03-0.183D-03 0.107D-01
 Coeff:     -0.365D-01-0.989D-01 0.113D+01
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=2.53D-08 MaxDP=4.07D-06 DE= 1.19D-12 OVMax= 6.00D-08

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.98D-09    CP:  8.48D-01  1.13D+00  1.11D+00  1.07D+00  1.08D+00
                    CP:  1.17D+00  1.22D+00  1.17D+00  1.19D+00
 E= -197.634337503007     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 8.55D-10 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 8 EnMin= -197.634337503013     IErMin=10 ErrMin= 8.55D-10
 ErrMax= 8.55D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-16 BMatP= 1.50D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.276D-07-0.143D-05 0.548D-05 0.127D-04-0.766D-05-0.977D-03
 Coeff-Com:  0.544D-02 0.763D-02-0.189D+00 0.118D+01
 Coeff:      0.276D-07-0.143D-05 0.548D-05 0.127D-04-0.766D-05-0.977D-03
 Coeff:      0.544D-02 0.763D-02-0.189D+00 0.118D+01
 Gap=     0.409 Goal=   None    Shift=    0.000
 RMSDP=2.34D-09 MaxDP=3.84D-07 DE= 4.77D-12 OVMax= 6.28D-09

 SCF Done:  E(RM11) =  -197.634337503     A.U. after   10 cycles
            NFock= 10  Conv=0.23D-08     -V/T= 2.0077
 KE= 1.961274434663D+02 PE=-8.535445951766D+02 EE= 2.611885128448D+02
 Leave Link  502 at Thu Jan 27 18:34:35 2022, MaxMem=  5368709120 cpu:             628.8 elap:              81.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   223
 NBasis=   223 NAE=    21 NBE=    21 NFC=     0 NFV=     0
 NROrb=    223 NOA=    21 NOB=    21 NVA=   202 NVB=   202

 **** Warning!!: The largest alpha MO coefficient is  0.12798969D+03

 Leave Link  801 at Thu Jan 27 18:34:36 2022, MaxMem=  5368709120 cpu:               0.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5270 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 7.07D-14 8.33D-09 XBig12= 1.00D+00 1.91D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 7.07D-14 8.33D-09 XBig12= 7.70D-02 5.87D-02.
     11 vectors produced by pass  2 Test12= 7.07D-14 8.33D-09 XBig12= 7.56D-03 1.59D-02.
     11 vectors produced by pass  3 Test12= 7.07D-14 8.33D-09 XBig12= 8.28D-04 6.59D-03.
     11 vectors produced by pass  4 Test12= 7.07D-14 8.33D-09 XBig12= 2.23D-05 1.09D-03.
     11 vectors produced by pass  5 Test12= 7.07D-14 8.33D-09 XBig12= 1.92D-07 1.29D-04.
     11 vectors produced by pass  6 Test12= 7.07D-14 8.33D-09 XBig12= 4.42D-09 1.53D-05.
     11 vectors produced by pass  7 Test12= 7.07D-14 8.33D-09 XBig12= 6.73D-11 1.26D-06.
      9 vectors produced by pass  8 Test12= 7.07D-14 8.33D-09 XBig12= 1.05D-12 1.78D-07.
      3 vectors produced by pass  9 Test12= 7.07D-14 8.33D-09 XBig12= 1.11D-14 1.71D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.07D-14
 Solved reduced A of dimension   100 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.674779D+02
      2 -0.702391D-02  0.674824D+02
      3 -0.254835D-01 -0.263058D-01  0.674884D+02
 Isotropic polarizability for W=    0.085645       67.48 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.615198D+00  0.288903D-01  0.234523D+01
      2   0.292149D+01 -0.183324D+01 -0.852187D+00
      3  -0.230629D+01  0.180435D+01 -0.149304D+01
      4  -0.376959D-01  0.286914D+01  0.302379D+01
      5   0.225797D+01  0.304463D+01 -0.239315D+01
      6   0.304355D+01 -0.974723D+00  0.172994D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.909342D-02  0.542090D-01 -0.427964D-01
      2  -0.852252D-01 -0.232986D-01 -0.918565D-02
      3   0.404407D-01 -0.668457D-01  0.154358D-01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.208344D-01 -0.122536D+00  0.744007D-01
      2   0.872632D-01 -0.197538D-01 -0.868524D-01
      3  -0.665862D-01  0.523460D-01 -0.108060D-02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.127720D-02  0.334495D-02  0.156571D-02
      2   0.334495D-02  0.732614D-02  0.146946D-01
      3   0.156571D-02  0.146946D-01 -0.737274D-02
 OR G Eigenvalues:    -0.0165     0.0004     0.0172  Iso=    -0.0004
 Eigenvectors:
   (1)   0.024598  -0.527855   0.848978
   (2)   0.974296  -0.177563  -0.138630
   (3)   0.223924   0.830566   0.509920
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0004 au.
 Molar Mass =     72.1498 grams/mole, [Alpha] ( 5320.0 A) =       -0.27 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   24976 ScalPx= 2.56D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.23D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.18D-14 2.78D-09 XBig12= 1.00D+00 5.68D-01.
     30 vectors produced by pass  1 Test12= 1.18D-14 2.78D-09 XBig12= 6.21D-03 1.74D-02.
     30 vectors produced by pass  2 Test12= 1.18D-14 2.78D-09 XBig12= 5.94D-04 4.42D-03.
     30 vectors produced by pass  3 Test12= 1.18D-14 2.78D-09 XBig12= 1.33D-05 7.96D-04.
     30 vectors produced by pass  4 Test12= 1.18D-14 2.78D-09 XBig12= 2.62D-07 7.77D-05.
     30 vectors produced by pass  5 Test12= 1.18D-14 2.78D-09 XBig12= 3.38D-09 1.12D-05.
     30 vectors produced by pass  6 Test12= 1.18D-14 2.78D-09 XBig12= 2.96D-11 7.83D-07.
     25 vectors produced by pass  7 Test12= 1.18D-14 2.78D-09 XBig12= 2.37D-13 7.30D-08.
      1 vectors produced by pass  8 Test12= 1.18D-14 2.78D-09 XBig12= 2.28D-15 1.22D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   236 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 1.14D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   24976 ScalPx= 1.14D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   24976 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.17D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.674779D+02 -0.702391D-02 -0.254835D-01
      2  -0.702391D-02  0.674824D+02 -0.263058D-01
      3  -0.254835D-01 -0.263058D-01  0.674884D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.909342D-02  0.542090D-01 -0.427964D-01
      2  -0.852252D-01 -0.232986D-01 -0.918565D-02
      3   0.404407D-01 -0.668457D-01  0.154358D-01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.615198D+00  0.288903D-01  0.234523D+01
      2   0.292149D+01 -0.183324D+01 -0.852187D+00
      3  -0.230629D+01  0.180435D+01 -0.149304D+01
      4  -0.376959D-01  0.286914D+01  0.302379D+01
      5   0.225797D+01  0.304463D+01 -0.239315D+01
      6   0.304355D+01 -0.974723D+00  0.172994D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.113670D+01  0.493407D-01  0.407659D+01  0.335880D-01  0.507476D+01
      2   0.493407D-01  0.505505D+01  0.545586D+01  0.507476D+01 -0.318282D+01
      3   0.407659D+01  0.545586D+01 -0.400068D+01  0.545152D+01 -0.147313D+01
                 6             7             8             9            10 
      1   0.545152D+01  0.407847D+01  0.543576D+01 -0.395195D+01 -0.845197D+00
      2  -0.147313D+01  0.543576D+01 -0.148852D+01  0.309200D+01 -0.570711D-01
      3   0.306269D+01 -0.395195D+01  0.309200D+01 -0.253293D+01 -0.277450D+01
                11            12            13            14            15 
      1  -0.570711D-01 -0.277450D+01  0.258881D+00 -0.480317D+01 -0.415478D+01
      2  -0.369997D+01 -0.415563D+01 -0.480317D+01  0.150261D+01  0.203416D+01
      3  -0.415563D+01  0.340617D+01 -0.415478D+01  0.203416D+01 -0.202995D+01
                16            17            18            19            20 
      1  -0.359622D+01 -0.411846D+01  0.230769D+01  0.241964D+01  0.386836D+00
      2  -0.411846D+01  0.122600D+01 -0.234883D+01  0.386836D+00 -0.403997D+01
      3   0.230769D+01 -0.234883D+01  0.336299D+01 -0.261275D+01 -0.432276D+01
                21            22            23            24            25 
      1  -0.261275D+01 -0.502058D+00 -0.317822D+01 -0.435047D+01 -0.326492D+01
      2  -0.432276D+01 -0.317822D+01  0.385931D+01  0.139028D+01 -0.435037D+01
      3   0.264379D+01 -0.435047D+01  0.139028D+01 -0.235809D+01  0.352693D+01
                26            27            28            29            30 
      1  -0.435037D+01  0.352693D+01  0.214085D+01 -0.979830D+00 -0.317889D+01
      2   0.795863D+00 -0.149325D+01 -0.979830D+00 -0.430401D+01 -0.411784D+01
      3  -0.149325D+01  0.313140D+01 -0.317889D+01 -0.411784D+01  0.287149D+01
                31            32            33            34            35 
      1   0.252574D+00 -0.368851D+01 -0.413764D+01 -0.278226D+01 -0.410092D+01
      2  -0.368851D+01  0.686213D+00  0.107201D+01 -0.410092D+01  0.148923D+01
      3  -0.413764D+01  0.107201D+01 -0.225164D+01  0.352084D+01 -0.348708D+01
                36            37            38            39            40 
      1   0.352084D+01 -0.405015D+00  0.562787D+00 -0.399301D+01 -0.521062D-01
      2  -0.348708D+01  0.562787D+00 -0.351427D+01 -0.419373D+01 -0.402957D+01
      3   0.893016D+00 -0.399301D+01 -0.419373D+01  0.336505D+01 -0.420945D+01
                41            42            43            44            45 
      1  -0.402957D+01 -0.420945D+01 -0.280156D+01 -0.419447D+01  0.282584D+01
      2   0.354506D+01  0.104833D+00 -0.419447D+01  0.133370D+01 -0.218602D+01
      3   0.104833D+00 -0.275144D+01  0.282584D+01 -0.218602D+01  0.167739D+00
                46            47            48            49            50 
      1  -0.705973D+00  0.504910D+00 -0.735909D+00  0.683274D+00  0.293320D+00
      2   0.504910D+00 -0.479360D+00  0.104132D+01  0.293320D+00  0.196231D+01
      3  -0.735909D+00  0.104132D+01 -0.218252D+01  0.389741D+00 -0.222016D+01
                51            52            53            54            55 
      1   0.389741D+00 -0.101457D+01  0.442356D+00 -0.373506D+00  0.343471D+01
      2  -0.222016D+01  0.442356D+00 -0.210021D+01  0.264801D+01 -0.193130D+01
      3   0.282154D+01 -0.373506D+00  0.264801D+01 -0.734197D+01 -0.108123D+01
                56            57            58            59            60 
      1  -0.193130D+01 -0.108123D+01 -0.321871D+01  0.294015D+01  0.179017D+01
      2   0.218360D+01  0.108899D+01  0.294015D+01 -0.465584D+01 -0.179187D+01
      3   0.108899D+01  0.858177D+00  0.179017D+01 -0.179187D+01 -0.187853D+01
                61            62            63            64            65 
      1  -0.720267D+00  0.102983D+01  0.993972D+00  0.527620D+01  0.250968D+01
      2   0.102983D+01 -0.117684D+01 -0.981140D+00  0.250968D+01  0.248009D+01
      3   0.993972D+00 -0.981140D+00 -0.183035D+01  0.899925D+00  0.763648D+00
                66            67            68            69            70 
      1   0.899925D+00  0.306901D+01  0.296286D+01  0.709356D+00  0.241065D+01
      2   0.763648D+00  0.296286D+01  0.325738D+01  0.404430D+00  0.140311D+01
      3   0.825251D+00  0.709356D+00  0.404430D+00  0.121229D+01  0.877823D+00
                71            72            73            74            75 
      1   0.140311D+01  0.877823D+00 -0.248434D+01  0.310513D+00 -0.174441D+01
      2   0.123698D+01  0.105745D+01  0.310513D+00 -0.269381D+00  0.690772D+00
      3   0.105745D+01  0.919344D+00 -0.174441D+01  0.690772D+00 -0.230702D+01
                76            77            78            79            80 
      1   0.128135D+01 -0.384088D+00  0.137529D+01 -0.215928D+01  0.626950D+00
      2  -0.384088D+00  0.817566D+00 -0.129729D+01  0.626950D+00 -0.145742D+01
      3   0.137529D+01 -0.129729D+01  0.233575D+01 -0.299562D+01  0.928405D+00
                81            82            83            84            85 
      1  -0.299562D+01 -0.638977D+01 -0.199012D+01  0.197314D+01 -0.126786D+01
      2   0.928405D+00 -0.199012D+01 -0.138624D+01  0.879026D+00 -0.116367D+01
      3  -0.663751D+01  0.197314D+01  0.879026D+00 -0.193063D+01  0.823711D+00
                86            87            88            89            90 
      1  -0.116367D+01  0.823711D+00  0.349082D+01  0.153231D+01 -0.217430D+01
      2  -0.167667D+01  0.487801D+00  0.153231D+01  0.131955D+01 -0.654781D+00
      3   0.487801D+00 -0.327045D+00 -0.217430D+01 -0.654781D+00  0.195360D+01
                91            92            93            94            95 
      1   0.104207D+01 -0.136056D+01 -0.251035D+00 -0.142306D+01  0.119953D+01
      2  -0.136056D+01  0.295388D+01  0.119582D+01  0.119953D+01 -0.772629D+01
      3  -0.251035D+00  0.119582D+01  0.733434D+00  0.588371D+00 -0.224387D+01
                96            97            98            99           100 
      1   0.588371D+00 -0.166950D+00  0.622083D+00 -0.210527D-02 -0.215916D+01
      2  -0.224387D+01  0.622083D+00 -0.177538D+01 -0.146335D+01  0.150020D+01
      3  -0.158377D+01 -0.210527D-02 -0.146335D+01 -0.162344D+01 -0.103420D+01
               101           102           103           104           105 
      1   0.150020D+01 -0.103420D+01  0.112216D+01 -0.106792D+01  0.110452D+01
      2  -0.107762D+01  0.118817D+01 -0.106792D+01  0.325137D+01 -0.186482D+01
      3   0.118817D+01 -0.157564D+01  0.110452D+01 -0.186482D+01  0.186488D+01
               106           107           108           109           110 
      1  -0.183937D+01  0.182356D+01 -0.197778D+01  0.219874D+01  0.187561D+01
      2   0.182356D+01 -0.336344D+01  0.266032D+01  0.187561D+01  0.351755D+01
      3  -0.197778D+01  0.266032D+01 -0.423857D+01  0.137843D+01  0.163104D+01
               111           112           113           114           115 
      1   0.137843D+01  0.144927D+01  0.184832D+01  0.102240D+01  0.127291D+01
      2   0.163104D+01  0.184832D+01  0.508915D+01  0.188552D+01  0.105119D+01
      3   0.132021D+01  0.102240D+01  0.188552D+01  0.180104D+01  0.624104D+00
               116           117           118           119           120 
      1   0.105119D+01  0.624104D+00 -0.571863D+01  0.624299D+00  0.307231D+01
      2   0.222186D+01  0.220093D+01  0.624299D+00 -0.931535D+00  0.460432D-01
      3   0.220093D+01  0.215846D+01  0.307231D+01  0.460432D-01 -0.281890D+01
               121           122           123           124           125 
      1  -0.833795D+00 -0.450212D+00  0.748536D+00  0.327615D+01 -0.271006D-01
      2  -0.450212D+00 -0.251114D+00  0.511977D+00 -0.271006D-01  0.950820D+00
      3   0.748536D+00  0.511977D+00 -0.388650D+00 -0.292461D+01  0.651160D+00
               126           127           128           129           130 
      1  -0.292461D+01  0.257026D+01 -0.228048D+01  0.529638D+00 -0.237779D+01
      2   0.651160D+00 -0.228048D+01  0.295450D+01  0.170161D+00  0.309522D+01
      3   0.345678D+01  0.529638D+00  0.170161D+00  0.500730D+00  0.140626D+00
               131           132           133           134           135 
      1   0.309522D+01  0.140626D+00 -0.389179D+00  0.837281D+00  0.250139D+00
      2  -0.696529D+01  0.365183D+00  0.837281D+00 -0.126306D+01 -0.651153D+00
      3   0.365183D+00 -0.117077D+01  0.250139D+00 -0.651153D+00 -0.361711D+00
               136           137           138           139           140 
      1  -0.329291D+01 -0.100291D+01  0.273617D+01 -0.676313D+00 -0.481546D+00
      2  -0.100291D+01 -0.117550D+01  0.150880D+01 -0.481546D+00 -0.143672D+01
      3   0.273617D+01  0.150880D+01 -0.399403D+01  0.909817D+00  0.125221D+01
               141           142           143           144           145 
      1   0.909817D+00  0.214312D+01  0.944664D+00 -0.232420D+01  0.405524D+01
      2   0.125221D+01  0.944664D+00  0.111012D+01 -0.122405D+01  0.127811D+01
      3  -0.931218D+00 -0.232420D+01 -0.122405D+01  0.513208D+01  0.273973D+01
               146           147           148           149           150 
      1   0.127811D+01  0.273973D+01  0.220158D+01  0.183274D+01  0.179827D+01
      2   0.173319D+01  0.113031D+01  0.183274D+01  0.192377D+01  0.138271D+01
      3   0.113031D+01  0.228510D+01  0.179827D+01  0.138271D+01  0.257291D+01
               151           152           153 
      1   0.206244D+01  0.104221D+01  0.179675D+01
      2   0.104221D+01  0.940769D+00  0.125137D+01
      3   0.179675D+01  0.125137D+01  0.339107D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.862957D-02  0.869164D-02  0.851127D-02  0.130803D-01 -0.151534D-01
      2   0.194066D-01  0.995288D-02  0.499850D+01 -0.129379D-01 -0.296002D-01
      3  -0.129522D-02 -0.502296D+01  0.219433D-02  0.500252D+01  0.249329D-02
                 6             7             8             9            10 
      1  -0.500999D+01  0.486991D-02  0.499928D+01 -0.376840D-01  0.109140D+01
      2  -0.334359D-02 -0.499986D+01 -0.931856D-02  0.169660D-01 -0.690566D+01
      3   0.198946D-01  0.477542D-02  0.208956D-01  0.912084D-02 -0.988146D+00
                11            12            13            14            15 
      1   0.665303D+01  0.367189D+01  0.830699D+01 -0.186300D+01 -0.434552D+01
      2  -0.607865D+01  0.341594D+01 -0.564529D+01 -0.262779D+01 -0.776115D+01
      3   0.413692D+01  0.499265D+01  0.100977D+02 -0.314473D+01 -0.569240D+01
                16            17            18            19            20 
      1   0.424608D+01  0.712527D+00  0.793134D+00 -0.326661D+01 -0.202524D+01
      2  -0.357431D+01 -0.834050D+01  0.935148D+01  0.644679D+01  0.622492D+01
      3   0.451804D+01 -0.414262D+01  0.409775D+01 -0.404905D+01 -0.730534D+01
                21            22            23            24            25 
      1   0.727547D+01 -0.308336D+01 -0.291794D+01 -0.544714D+01  0.871180D+01
      2  -0.364347D+01  0.520696D+01 -0.427477D+01 -0.157914D+01 -0.951113D+01
      3  -0.295325D+01 -0.903455D+00  0.991710D+01  0.736093D+01 -0.193507D+01
                26            27            28            29            30 
      1   0.167102D+00  0.604104D+01  0.442270D+01  0.459989D+01 -0.711014D+01
      2  -0.300309D+01 -0.208226D+01  0.118336D+01  0.461157D+01  0.575760D+00
      3   0.632889D+01 -0.571260D+01  0.429245D+01 -0.856434D+01 -0.902664D+01
                31            32            33            34            35 
      1   0.500758D+01 -0.235453D+01  0.326796D+01 -0.840816D+01  0.979436D+01
      2   0.381287D+01  0.739172D+00  0.458115D+01 -0.409053D+01  0.594850D+01
      3  -0.154913D+01 -0.692821D+01 -0.575093D+01 -0.820893D+01 -0.524265D+01
                36            37            38            39            40 
      1  -0.190110D+01 -0.237672D+01 -0.909518D+01 -0.388029D+01 -0.103040D+02
      2  -0.183762D+01 -0.641988D+00 -0.458985D+01  0.117199D+02 -0.333563D+01
      3   0.243623D+01  0.700344D+00 -0.363557D+00  0.696358D+01  0.453238D+01
                41            42            43            44            45 
      1   0.705210D+01 -0.542147D+01 -0.440735D+01  0.136287D+01 -0.482336D+01
      2   0.610001D+01  0.478898D+01  0.503044D+01  0.525499D+01 -0.554978D+01
      3   0.227276D+00  0.421399D+01  0.566234D+01  0.302411D+01 -0.833249D+00
                46            47            48            49            50 
      1  -0.322653D+00  0.756871D+00  0.187802D-01 -0.487700D+00 -0.229730D+01
      2  -0.270083D+01  0.184362D+01 -0.246173D+01  0.273629D+01 -0.251959D+01
      3  -0.141570D+01 -0.103591D+00 -0.152295D+01  0.141439D+01 -0.210826D+01
                51            52            53            54            55 
      1   0.319408D-01 -0.505929D+00  0.413386D+01  0.722518D+00  0.263083D+01
      2   0.445384D+01 -0.512933D+01  0.445059D+01 -0.101122D+02  0.271631D+01
      3   0.298220D+01 -0.232116D+01  0.291582D+01 -0.395702D+01  0.277391D+01
                56            57            58            59            60 
      1  -0.383794D+01 -0.746043D+00 -0.365945D+01  0.696510D+01  0.124396D+00
      2  -0.642549D+00  0.160134D+01 -0.186804D+01  0.937475D+00 -0.180203D+01
      3  -0.580977D+01 -0.197212D+01 -0.262842D+01  0.909944D+01  0.273145D+01
                61            62            63            64            65 
      1  -0.162490D+01  0.296842D+01  0.991443D+00 -0.326079D+01 -0.292213D+01
      2  -0.734321D+00  0.538340D-01 -0.172922D+01  0.646682D+01  0.419736D+01
      3  -0.148498D+01  0.282208D+01  0.159060D+01 -0.359248D+00 -0.475080D+01
                66            67            68            69            70 
      1  -0.255751D+01 -0.337977D+01 -0.315923D+01 -0.303459D+01 -0.171169D+01
      2   0.471014D+01  0.414678D+01  0.391358D+01  0.421769D+01  0.231744D+01
      3  -0.951786D+00 -0.105124D+01 -0.439869D+01 -0.509430D+00 -0.234722D+00
                71            72            73            74            75 
      1  -0.767974D+00 -0.230834D+01 -0.207675D+01  0.209524D+01 -0.334394D+01
      2   0.293338D+01  0.324073D+01 -0.977844D+00 -0.766240D+00  0.286614D+01
      3  -0.192683D+01 -0.122891D+01  0.252702D+01 -0.209828D+01  0.282149D+01
                76            77            78            79            80 
      1   0.149013D+01 -0.306954D+01  0.250789D+01 -0.373106D+01  0.555001D+01
      2   0.405090D+00  0.131785D+01 -0.201252D+01 -0.955932D+00 -0.891497D+00
      3  -0.474443D+00  0.194481D+01 -0.280306D+01  0.262666D+01 -0.388581D+01
                81            82            83            84            85 
      1  -0.759753D+01  0.397529D+01  0.117954D+01 -0.400615D+01  0.187626D+01
      2   0.620225D+01 -0.655230D+01 -0.253929D+01  0.704009D+01 -0.209932D+01
      3   0.463318D+01  0.532281D+01 -0.194494D+01 -0.142766D+01  0.140700D+01
                86            87            88            89            90 
      1   0.132564D+01 -0.184834D+01 -0.340572D+01 -0.296524D-01  0.334425D+01
      2  -0.133028D+01  0.179238D+01  0.376591D+01  0.160774D+01 -0.553724D+01
      3  -0.124941D+01 -0.563877D+00 -0.251877D+01  0.116866D+01  0.181344D+01
                91            92            93            94            95 
      1   0.958691D+00 -0.139092D+01  0.817336D+00 -0.508569D+00  0.455547D+01
      2   0.161786D+01 -0.230228D+01  0.201423D+00 -0.298340D+01  0.378067D+01
      3  -0.395034D+01  0.361394D+01  0.134680D+01  0.667283D+01 -0.975496D+01
                96            97            98            99           100 
      1  -0.275294D+01 -0.670749D+00  0.112215D+01 -0.128488D+01  0.210408D+01
      2   0.174064D+01 -0.124553D+01  0.207813D+01  0.140036D+01  0.913838D+00
      3  -0.326474D+01  0.173141D+01 -0.294826D+01 -0.142975D+01 -0.246138D+01
               101           102           103           104           105 
      1  -0.188011D+01  0.406528D+01 -0.240622D+01  0.326082D+01 -0.579482D+01
      2  -0.164597D+01  0.328075D+01 -0.771914D+00  0.214292D+01 -0.302199D+01
      3  -0.317388D-01 -0.436881D+00  0.242826D+01  0.159217D+01  0.278396D+00
               106           107           108           109           110 
      1   0.362495D+01 -0.291429D+01  0.924668D+01 -0.138053D+01 -0.891402D-01
      2   0.277643D+00 -0.278495D+01  0.558424D+01 -0.307077D+01 -0.209992D+01
      3  -0.239641D+01 -0.934439D+00 -0.836259D+00  0.646568D+01  0.380011D+01
               111           112           113           114           115 
      1  -0.238855D+01 -0.936508D+00  0.215684D+00 -0.406056D+01 -0.520339D+00
      2  -0.298192D+00 -0.264385D+01 -0.252322D+01 -0.135565D+01 -0.264896D+01
      3   0.347110D+01  0.642103D+01  0.616054D+01  0.344807D+01  0.429024D+01
               116           117           118           119           120 
      1  -0.828541D+00 -0.305255D+01 -0.458677D+01 -0.214595D+01  0.471094D+01
      2  -0.209458D+01 -0.127055D+01  0.120317D+01 -0.438516D+00  0.343136D+01
      3   0.304217D+01  0.264666D+01 -0.808711D+01 -0.281759D+01  0.500743D+01
               121           122           123           124           125 
      1  -0.111717D+01 -0.119912D+01 -0.903370D-01  0.444677D+01  0.169965D+01
      2  -0.122431D-01 -0.256191D+00  0.213467D+00 -0.796356D+00 -0.514710D+00
      3  -0.527576D+00 -0.129381D+01  0.137531D+01  0.536360D+01  0.250770D+01
               126           127           128           129           130 
      1  -0.473931D+01 -0.281886D+01  0.493970D+01  0.206838D+01  0.490359D+01
      2  -0.281633D+01 -0.309078D+01  0.344080D+01  0.123730D+01  0.374719D+01
      3  -0.395051D+01 -0.165876D+01 -0.160733D+01 -0.650399D+00  0.256675D+01
               131           132           133           134           135 
      1  -0.100142D+02 -0.387199D+01  0.117185D+01 -0.126606D+01 -0.176839D+01
      2  -0.461896D+01 -0.248980D+01 -0.248822D+00 -0.142189D+01 -0.928275D+00
      3   0.311398D+01 -0.300691D+00  0.122909D+00  0.357893D+00  0.247595D+00
               136           137           138           139           140 
      1   0.766567D+00 -0.190265D+01 -0.143212D+01  0.226882D+00 -0.153700D+01
      2   0.843243D+01  0.216438D+01 -0.435071D+01  0.232701D+01  0.124429D+01
      3   0.399582D+01 -0.476380D+00 -0.292742D+01  0.188042D+01  0.695564D+00
               141           142           143           144           145 
      1  -0.137911D+00 -0.458959D+00  0.275240D+01  0.269618D+01  0.414877D+01
      2  -0.187333D+01 -0.747023D+01 -0.227369D+01  0.563478D+01 -0.507677D+01
      3  -0.145308D+01 -0.320374D+01 -0.500489D+00  0.274059D+01 -0.309863D+01
               146           147           148           149           150 
      1   0.505631D+01  0.282815D+01  0.407520D+01  0.506909D+01  0.214044D+01
      2  -0.140623D+01 -0.581553D+00 -0.300956D+01 -0.199556D+01  0.110796D+00
      3  -0.439488D+01 -0.271799D+01 -0.155679D+01 -0.388434D+01 -0.208945D+01
               151           152           153 
      1   0.323017D+01  0.428441D+01  0.365974D+01
      2  -0.371830D+01 -0.983902D+00  0.450115D+00
      3  -0.201618D+01 -0.260713D+01 -0.226687D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.378435D+01 -0.295030D+01  0.270980D+01 -0.296493D+01 -0.155343D+01
      2  -0.144691D+01  0.313576D+01 -0.124076D+01  0.320149D+01  0.116397D+01
      3  -0.233745D+01 -0.185455D+00 -0.146904D+01 -0.236563D+00  0.389456D+00
      4  -0.294905D+01 -0.263294D+01 -0.779710D+00 -0.266854D+01  0.316688D+01
      5   0.264159D+01 -0.772477D+00 -0.356970D+01 -0.835597D+00 -0.118996D+01
      6  -0.793560D+00 -0.128828D+01 -0.203782D+00 -0.120998D+01 -0.366027D+01
                 6             7             8             9            10 
      1  -0.792957D+00  0.265469D+01 -0.825828D+00 -0.236136D+01 -0.638897D+01
      2  -0.360614D+01 -0.123240D+01 -0.362067D+01  0.302524D+00 -0.386402D+01
      3   0.439910D+01 -0.142230D+01  0.444649D+01  0.205883D+01  0.102530D+02
      4  -0.121039D+01 -0.816492D+00 -0.128233D+01 -0.212575D+00 -0.160734D+01
      5  -0.315719D+00 -0.347278D+01 -0.225296D+00 -0.147912D+01 -0.610544D+01
      6  -0.747128D+00 -0.199124D+00 -0.765137D+00  0.447313D+01 -0.453970D+01
                11            12            13            14            15 
      1  -0.471224D+01 -0.213133D+01 -0.471422D+01 -0.881995D+01 -0.152553D+02
      2  -0.665735D+01  0.377259D+01 -0.560318D+01  0.532564D+01  0.170671D+01
      3   0.113696D+02 -0.164126D+01  0.103174D+02  0.349431D+01  0.135486D+02
      4  -0.135456D+02 -0.107458D+02 -0.148333D+02  0.254966D+01  0.190221D+01
      5  -0.932702D+01  0.637180D+01 -0.103598D+02  0.731024D+01  0.322045D+01
      6   0.440899D+01  0.943959D+01  0.521668D+01 -0.410964D+01 -0.765248D+01
                16            17            18            19            20 
      1  -0.282278D+01 -0.154685D+02  0.146532D+02 -0.933902D+01 -0.984889D+01
      2   0.311296D+01  0.244414D+01 -0.138391D+01  0.272100D+01  0.684661D+01
      3  -0.290175D+00  0.130244D+02 -0.132693D+02  0.661802D+01  0.300228D+01
      4  -0.119185D+02  0.734891D+00 -0.119340D+01 -0.443500D+01  0.139250D+01
      5   0.644959D+01  0.242100D+01 -0.109924D+01  0.552941D+01  0.760633D+01
      6   0.750587D+01 -0.768414D+01  0.859351D+01  0.686346D+01  0.115845D+02
                21            22            23            24            25 
      1   0.577903D+01 -0.972403D+01  0.149335D+02  0.991579D+01  0.666777D+01
      2   0.946234D+01  0.531221D+01 -0.152954D+02 -0.120632D+02  0.840290D+01
      3  -0.152414D+02  0.441182D+01  0.361815D+00  0.214738D+01 -0.150707D+02
      4   0.116179D+02  0.256310D+01  0.354875D+01  0.503601D+01  0.127504D+02
      5  -0.651818D+01  0.798106D+01  0.428066D+01  0.882564D+01 -0.782828D+01
      6   0.239912D+00  0.103425D+02 -0.820231D+01 -0.190320D+01  0.186176D+00
                26            27            28            29            30 
      1   0.107344D+02 -0.561560D+01 -0.338364D+01  0.750390D+01  0.117974D+02
      2  -0.120587D+02  0.122728D+02  0.520540D+01 -0.963469D+01 -0.180964D+02
      3   0.132437D+01 -0.665722D+01 -0.182177D+01  0.213079D+01  0.629903D+01
      4   0.525340D+01  0.653099D+00  0.239805D+01 -0.111218D+01 -0.245321D+01
      5   0.731173D+01 -0.981613D+01  0.713433D+01  0.305104D+01 -0.113428D+02
      6  -0.113248D+01  0.122067D+01 -0.593357D+01 -0.142961D+02  0.468808D+01
                31            32            33            34            35 
      1   0.733173D+01  0.593407D+01  0.639049D+01  0.122300D+02  0.518181D+01
      2  -0.894196D+01 -0.289751D+01 -0.518927D+00 -0.178124D+02 -0.173264D+00
      3   0.161023D+01 -0.303656D+01 -0.587157D+01  0.558233D+01 -0.500855D+01
      4  -0.154459D+00 -0.110090D+02 -0.121908D+02 -0.160652D+01 -0.131539D+02
      5   0.504004D+01 -0.725140D+01  0.839502D+00 -0.114826D+02  0.250594D+01
      6  -0.131301D+02  0.222256D+01 -0.955806D+01  0.548478D+01 -0.105777D+02
                36            37            38            39            40 
      1  -0.208642D+01  0.307085D+01  0.179101D+01 -0.108482D+02  0.198065D+01
      2  -0.301773D+01  0.439794D+01  0.149487D+02  0.283564D+01  0.146243D+02
      3   0.510415D+01 -0.746879D+01 -0.167397D+02  0.801258D+01 -0.166049D+02
      4   0.872208D+01 -0.149790D+01 -0.834423D+01  0.570207D-01 -0.894003D+01
      5   0.169976D+00 -0.233570D+01 -0.288695D+01 -0.112662D+02 -0.404980D+01
      6   0.301607D+01  0.190590D+01 -0.385186D+01 -0.144347D+02 -0.442925D+01
                41            42            43            44            45 
      1  -0.326904D+01 -0.250910D+01 -0.115510D+02 -0.175741D+01  0.422699D+00
      2  -0.786680D+01  0.423565D+01  0.440610D+01  0.323774D+01  0.392574D+01
      3   0.111358D+02 -0.172655D+01  0.714491D+01 -0.148032D+01 -0.434844D+01
      4   0.101295D+02  0.321846D+01 -0.555489D+00  0.535191D+01 -0.853789D+01
      5  -0.649936D+01 -0.132160D+02 -0.971347D+01 -0.122966D+02  0.816690D+01
      6   0.350877D+01  0.844010D+00 -0.133645D+02  0.105140D+01 -0.515172D+01
                46            47            48            49            50 
      1  -0.180016D+01  0.342740D+01 -0.587309D+01  0.286466D+01 -0.638891D+01
      2  -0.550129D+00 -0.996463D+00 -0.147003D+01 -0.834476D+00  0.249366D+01
      3   0.235029D+01 -0.243094D+01  0.734312D+01 -0.203018D+01  0.389526D+01
      4  -0.735161D+00  0.241686D+01 -0.224312D+00  0.380492D+01  0.244229D+01
      5   0.293117D+01 -0.812711D+00  0.319430D+01 -0.164252D+01 -0.299378D+01
      6  -0.213506D+01  0.290595D+01 -0.395790D+01  0.184601D+00 -0.927219D+01
                51            52            53            54            55 
      1   0.998803D+01 -0.429183D+01  0.975973D+01 -0.210499D+02  0.136249D+02
      2   0.678535D-01  0.117263D+01 -0.296662D+00 -0.106549D+02 -0.775162D+01
      3  -0.100559D+02  0.311920D+01 -0.946307D+01  0.317048D+02 -0.587330D+01
      4  -0.306834D+01 -0.662323D+00 -0.345421D+01  0.394904D+01 -0.862176D+01
      5   0.376056D+01  0.557216D+01  0.324344D+01 -0.954934D+01 -0.101802D+02
      6   0.122562D+02 -0.134822D+01  0.121176D+02 -0.163466D+02  0.517497D+01
                56            57            58            59            60 
      1  -0.620907D+01 -0.318787D+01 -0.891694D+01  0.327002D+01  0.162028D+01
      2   0.480519D+01  0.401656D+01  0.601759D+01  0.668621D+00 -0.399021D+01
      3   0.140388D+01 -0.828697D+00  0.289935D+01 -0.393864D+01  0.236993D+01
      4   0.110005D+02  0.434815D+01  0.126478D+02 -0.162486D+02 -0.524977D+01
      5   0.713404D+01  0.732005D+01  0.103417D+02 -0.807339D+01 -0.889552D+01
      6  -0.558002D+01 -0.378834D+01 -0.663310D+01  0.124876D+02  0.775958D+01
                61            62            63            64            65 
      1  -0.206762D+01  0.190321D+01 -0.112380D+01  0.236477D+02  0.964652D+01
      2   0.374981D+01 -0.302092D+01 -0.392266D+01 -0.647998D+01  0.102806D+01
      3  -0.168219D+01  0.111771D+01  0.504646D+01 -0.171677D+02 -0.106746D+02
      4   0.399767D+01 -0.384437D+01 -0.376695D+01  0.159077D+02  0.140609D+02
      5   0.707428D+01 -0.575682D+01 -0.702959D+01 -0.180553D+01 -0.474705D-01
      6  -0.399274D+01  0.677417D+01  0.336835D+01 -0.168956D+01 -0.279813D+01
                66            67            68            69            70 
      1   0.425347D+01  0.109248D+02  0.546781D+01  0.320135D+01  0.811893D+01
      2  -0.203078D+00  0.784319D+00  0.599869D+01  0.176675D+01 -0.201944D+01
      3  -0.405039D+01 -0.117091D+02 -0.114665D+02 -0.496810D+01 -0.609949D+01
      4   0.353789D+01  0.154750D+02  0.145514D+02  0.238743D+01  0.617655D+01
      5   0.471710D+01 -0.706675D+00 -0.106771D+01  0.369383D+01  0.365917D+01
      6   0.381365D+00 -0.274780D+01 -0.196779D+01  0.342028D+01  0.566628D+00
                71            72            73            74            75 
      1   0.337274D+01  0.156029D+01  0.759956D+01 -0.547664D+00  0.349356D+01
      2   0.222665D+01 -0.188341D+00 -0.853507D+01  0.168527D+01 -0.931286D+01
      3  -0.559939D+01 -0.137195D+01  0.935504D+00 -0.113761D+01  0.581930D+01
      4   0.532483D+01  0.389736D+01  0.142446D+01  0.300618D+01 -0.604041D+00
      5   0.272376D+01  0.461112D+01  0.104256D+02 -0.290013D+01  0.133317D+02
      6   0.241919D+01  0.113288D+01  0.408005D+00  0.248593D+00  0.211422D+01
                76            77            78            79            80 
      1  -0.244830D+01 -0.158752D+01 -0.517136D+00  0.382031D+01 -0.174720D+01
      2   0.338341D+01 -0.990299D+00  0.723351D+01 -0.104251D+02  0.597959D+01
      3  -0.935115D+00  0.257782D+01 -0.671637D+01  0.660477D+01 -0.423239D+01
      4   0.221719D+01 -0.371783D+01  0.286606D+01  0.138310D+00  0.382846D+01
      5  -0.569501D+01  0.341191D+01 -0.683001D+01  0.149735D+02 -0.343671D+01
      6   0.527093D+00 -0.248717D+01  0.361683D+01  0.225168D+01  0.499418D+01
                81            82            83            84            85 
      1  -0.326187D+01  0.270802D+02  0.609373D+01 -0.817783D+01  0.465345D+01
      2  -0.198338D+02 -0.828377D+01  0.126663D+01  0.733483D+00  0.165746D+01
      3   0.230957D+02 -0.187965D+02 -0.736036D+01  0.744434D+01 -0.631090D+01
      4  -0.121166D+00  0.179317D+02  0.110284D+02 -0.606319D+01  0.962325D+01
      5   0.218486D+02 -0.417428D+01 -0.148910D+01  0.761191D+01 -0.135162D+01
      6   0.441427D+01 -0.406380D+01 -0.216240D+01  0.462545D+01 -0.251848D+01
                86            87            88            89            90 
      1   0.102099D+01 -0.200586D+01 -0.117483D+02 -0.215582D+01  0.527594D+01
      2   0.445343D+01 -0.184210D+00  0.245124D+01 -0.158625D+01 -0.327376D+01
      3  -0.547442D+01  0.219007D+01  0.929707D+01  0.374207D+01 -0.200218D+01
      4   0.689592D+01 -0.409808D+01 -0.930833D+01 -0.700386D+01  0.479002D+01
      5  -0.184015D+01  0.549173D+00  0.752766D+01  0.148958D+01 -0.690539D+01
      6  -0.389397D+00  0.323611D+01  0.445807D+01  0.319794D+01 -0.589040D+01
                91            92            93            94            95 
      1  -0.206770D+01  0.839369D+01  0.243759D+01  0.655597D+01 -0.231233D+02
      2   0.404659D+01 -0.103178D+02 -0.203259D+01 -0.607216D+01  0.336364D+02
      3  -0.197889D+01  0.192410D+01 -0.404997D+00 -0.483817D+00 -0.105131D+02
      4  -0.384695D+01  0.425716D+01  0.222941D+00  0.569276D+01  0.441185D+01
      5  -0.316025D+01  0.185972D+01  0.217904D+01  0.240701D+01 -0.338270D+00
      6   0.243338D+01 -0.625020D+01 -0.450595D+01 -0.327307D+01  0.184755D+02
                96            97            98            99           100 
      1  -0.833661D+01  0.118074D+01 -0.767121D+01 -0.514851D+01  0.469369D+01
      2   0.744957D+01 -0.174899D+01  0.655564D+01  0.223162D+01  0.450388D+00
      3   0.887035D+00  0.568247D+00  0.111557D+01  0.291689D+01 -0.514408D+01
      4   0.116319D+01 -0.977363D-02  0.105390D+01  0.428496D+00 -0.905936D+01
      5   0.332499D+00  0.302554D+01 -0.198756D+00  0.149027D+01  0.363465D+01
      6   0.114555D+02 -0.188556D+01  0.106010D+02  0.707080D+01 -0.378591D+01
               101           102           103           104           105 
      1  -0.171204D+01  0.105939D+01 -0.107777D+01 -0.577615D+01  0.167710D+01
      2  -0.329711D+01  0.275138D+01 -0.365368D+01  0.142663D+02 -0.679338D+01
      3   0.500915D+01 -0.381077D+01  0.473145D+01 -0.849016D+01  0.511629D+01
      4   0.895973D+01 -0.562924D+01  0.810683D+01 -0.945260D+01  0.713302D+01
      5  -0.324307D+01  0.695683D+01 -0.284113D+01  0.442111D+01 -0.378663D+01
      6   0.494999D+01 -0.555001D+01  0.488952D+01 -0.835166D+01  0.101431D+02
               106           107           108           109           110 
      1   0.206454D+01  0.368735D+01 -0.268275D+01 -0.276658D+01 -0.875472D+01
      2   0.263671D+01 -0.103712D+02  0.314336D+01  0.440608D+01  0.130173D+02
      3  -0.470126D+01  0.668384D+01 -0.460616D+00 -0.163950D+01 -0.426261D+01
      4  -0.862309D+01  0.102716D+02 -0.807259D+01  0.939593D+01  0.764629D+01
      5   0.742520D+01 -0.502865D+01  0.957524D+01  0.310323D+01  0.188675D+01
      6  -0.625901D+01  0.118558D+02 -0.160668D+02  0.563564D+01  0.844317D+01
               111           112           113           114           115 
      1  -0.563120D+01 -0.648747D+01 -0.165886D+02 -0.824954D+01 -0.477923D+01
      2   0.423920D+01  0.839269D+01  0.248896D+02  0.795954D+01  0.383029D+01
      3   0.139200D+01 -0.190522D+01 -0.830102D+01  0.290002D+00  0.948934D+00
      4   0.413296D+01  0.726919D+01  0.540954D+01  0.310760D+01  0.424983D+01
      5   0.385330D+01  0.125420D+01  0.162649D+01  0.230838D+00  0.420572D+01
      6   0.667352D+01  0.580890D+01  0.135542D+02  0.112459D+02  0.381994D+01
               116           117           118           119           120 
      1  -0.890920D+01 -0.750005D+01  0.192837D+02  0.403051D+00 -0.763432D+01
      2   0.872174D+01  0.428859D+01 -0.140521D+02 -0.251821D+01  0.101781D+02
      3   0.187453D+00  0.321146D+01 -0.523162D+01  0.211515D+01 -0.254382D+01
      4   0.292384D+01  0.156494D+01 -0.122157D+02  0.644993D+01  0.654104D+01
      5   0.418431D+00  0.126462D+01 -0.163895D+02  0.100158D+01  0.138458D+02
      6   0.123746D+02  0.103144D+02  0.700844D+01 -0.178348D+01 -0.684961D+01
               121           122           123           124           125 
      1   0.272392D+01  0.862723D+00 -0.140685D+01 -0.828874D+01 -0.171180D+01
      2  -0.316764D+01 -0.776907D+00  0.312568D+01  0.104133D+02  0.291563D+01
      3   0.443717D+00 -0.858160D-01 -0.171883D+01 -0.212458D+01 -0.120383D+01
      4   0.368263D+01  0.719969D+00 -0.131566D+01  0.731033D+01 -0.266595D+01
      5  -0.179411D+01 -0.217618D+01  0.150118D+01  0.140848D+02 -0.139556D+01
      6  -0.857569D+00  0.106030D+00  0.305831D+01 -0.647410D+01  0.520777D+01
               126           127           128           129           130 
      1   0.209479D+01  0.501628D+01 -0.207816D+01 -0.265066D+00 -0.238713D+01
      2  -0.907355D+01  0.185278D+01 -0.765195D+01 -0.114731D+01 -0.759356D+01
      3   0.697876D+01 -0.686906D+01  0.973011D+01  0.141238D+01  0.998070D+01
      4  -0.633045D+01 -0.107887D+02  0.131028D+02 -0.502090D+00  0.135592D+02
      5  -0.134861D+02  0.486520D+01 -0.395344D+01  0.452328D+01 -0.461023D+01
      6   0.727267D+01 -0.437615D+01  0.639857D+01 -0.134953D+01  0.620114D+01
               131           132           133           134           135 
      1  -0.636760D+01  0.265887D+01 -0.102539D+01  0.548489D+00 -0.660140D+00
      2   0.242221D+02  0.126005D+01 -0.105851D+01  0.397513D+01  0.165716D+01
      3  -0.178545D+02 -0.391892D+01  0.208390D+01 -0.452362D+01 -0.997021D+00
      4  -0.185356D+02  0.495470D+00  0.211231D+01 -0.244992D+01 -0.188369D+01
      5   0.589427D+01 -0.212431D+01  0.269805D+01 -0.105492D+01 -0.107645D+01
      6  -0.136767D+02  0.629928D+01 -0.587282D+00  0.344995D+01  0.759786D+00
               136           137           138           139           140 
      1  -0.234901D+01 -0.362799D+01  0.916010D+01 -0.265460D+01 -0.384561D+01
      2  -0.432647D+01  0.420433D+00  0.540202D+01 -0.348100D+00  0.245461D+01
      3   0.667548D+01  0.320755D+01 -0.145621D+02  0.300270D+01  0.139100D+01
      4   0.665237D+01  0.458706D+01 -0.413751D+01  0.450574D+01  0.958076D+00
      5  -0.130275D+02 -0.294189D+01  0.114813D+02 -0.210034D+01 -0.211165D+01
      6  -0.534947D+01 -0.671137D+01  0.910709D+01 -0.387786D+01 -0.624443D+01
               141           142           143           144           145 
      1   0.495090D+01  0.725502D+01  0.522764D+01 -0.146278D+02  0.102644D+02
      2  -0.108055D+01  0.286105D+01 -0.478296D+00 -0.984824D+01 -0.127754D+02
      3  -0.387035D+01 -0.101161D+02 -0.474935D+01  0.244761D+02  0.251104D+01
      4  -0.240204D+01 -0.362698D+01 -0.218294D+01  0.416154D+01  0.203966D+01
      5   0.323982D+01  0.103896D+02  0.337779D+01 -0.922768D+01  0.168877D+02
      6   0.820571D+01  0.632375D+01  0.819397D+01 -0.117231D+02  0.323700D+01
               146           147           148           149           150 
      1   0.317241D+01  0.302466D+01  0.434489D+01  0.842721D+00 -0.131191D+01
      2  -0.607573D+01 -0.987134D+01 -0.716807D+01 -0.176966D+01 -0.660379D+01
      3   0.290332D+01  0.684668D+01  0.282318D+01  0.926934D+00  0.791570D+01
      4   0.520896D+01  0.654870D+00  0.492666D+01  0.417288D+01  0.220015D+01
      5   0.580850D+01  0.147989D+02  0.896279D+01  0.659714D+01  0.897466D+01
      6   0.578200D+01  0.337057D+01  0.548127D+01  0.798062D+01  0.580844D+01
               151           152           153 
      1   0.259982D+01 -0.150808D+00 -0.288101D+01
      2  -0.872323D+01 -0.443273D+01 -0.116172D+02
      3   0.612341D+01  0.458353D+01  0.144982D+02
      4   0.392071D+00  0.129470D+01  0.195212D+01
      5   0.128898D+02  0.589460D+01  0.125168D+02
      6   0.350659D+01  0.540427D+01  0.351577D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jan 27 18:49:18 2022, MaxMem=  5368709120 cpu:            7014.4 elap:             882.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.44184 -10.41844 -10.41844 -10.41844 -10.41836
 Alpha  occ. eigenvalues --   -0.96357  -0.81762  -0.81761  -0.81760  -0.65333
 Alpha  occ. eigenvalues --   -0.56278  -0.56278  -0.56278  -0.50996  -0.50996
 Alpha  occ. eigenvalues --   -0.46818  -0.46818  -0.46818  -0.41794  -0.41794
 Alpha  occ. eigenvalues --   -0.41793
 Alpha virt. eigenvalues --   -0.00921   0.00372   0.00373   0.00373   0.02435
 Alpha virt. eigenvalues --    0.02435   0.02435   0.02779   0.02779   0.05331
 Alpha virt. eigenvalues --    0.05331   0.05331   0.07038   0.08779   0.08780
 Alpha virt. eigenvalues --    0.08780   0.12934   0.12934   0.12934   0.13391
 Alpha virt. eigenvalues --    0.14693   0.14693   0.15087   0.15087   0.15087
 Alpha virt. eigenvalues --    0.17222   0.17223   0.17223   0.17762   0.17762
 Alpha virt. eigenvalues --    0.17763   0.20178   0.24986   0.24986   0.27628
 Alpha virt. eigenvalues --    0.27628   0.27628   0.30731   0.30732   0.30732
 Alpha virt. eigenvalues --    0.31603   0.31604   0.31604   0.35812   0.35812
 Alpha virt. eigenvalues --    0.35812   0.36690   0.39769   0.39770   0.41280
 Alpha virt. eigenvalues --    0.41281   0.41282   0.41594   0.42602   0.42602
 Alpha virt. eigenvalues --    0.42603   0.44441   0.44441   0.44441   0.48897
 Alpha virt. eigenvalues --    0.48898   0.49101   0.51169   0.51169   0.51169
 Alpha virt. eigenvalues --    0.52151   0.52152   0.52152   0.52497   0.52498
 Alpha virt. eigenvalues --    0.57772   0.57772   0.57773   0.58097   0.59417
 Alpha virt. eigenvalues --    0.59418   0.59418   0.63546   0.63546   0.63547
 Alpha virt. eigenvalues --    0.64258   0.64258   0.64259   0.65102   0.67123
 Alpha virt. eigenvalues --    0.67124   0.67125   0.68087   0.73809   0.73809
 Alpha virt. eigenvalues --    0.73914   0.73915   0.73915   0.80394   0.80394
 Alpha virt. eigenvalues --    0.80395   0.80944   0.80944   0.80945   0.81887
 Alpha virt. eigenvalues --    0.81888   0.83914   0.83914   0.83915   0.90519
 Alpha virt. eigenvalues --    0.90520   0.90521   0.95662   0.96605   0.96606
 Alpha virt. eigenvalues --    0.96607   0.97590   0.97590   1.07772   1.07774
 Alpha virt. eigenvalues --    1.12957   1.12958   1.12959   1.20937   1.21912
 Alpha virt. eigenvalues --    1.21913   1.21914   1.25058   1.25059   1.25059
 Alpha virt. eigenvalues --    1.40324   1.40324   1.40325   1.44753   1.44754
 Alpha virt. eigenvalues --    1.44755   1.54098   1.54099   1.54100   1.62174
 Alpha virt. eigenvalues --    1.63329   1.63330   1.67066   1.67068   1.67069
 Alpha virt. eigenvalues --    1.69940   1.69943   1.76631   1.84404   1.84406
 Alpha virt. eigenvalues --    1.84407   1.88421   1.88422   1.89193   1.89194
 Alpha virt. eigenvalues --    1.89194   1.91999   1.92003   1.92004   1.98776
 Alpha virt. eigenvalues --    1.98776   1.98777   2.08682   2.08682   2.08683
 Alpha virt. eigenvalues --    2.09141   2.11314   2.11317   2.11317   2.14092
 Alpha virt. eigenvalues --    2.14094   2.18576   2.18580   2.18582   2.30513
 Alpha virt. eigenvalues --    2.30514   2.30516   2.31897   2.31900   2.36282
 Alpha virt. eigenvalues --    2.38744   2.38746   2.38746   2.42803   2.42805
 Alpha virt. eigenvalues --    2.42806   2.52918   2.52919   2.60670   2.60912
 Alpha virt. eigenvalues --    2.60914   2.60915   2.67429   2.67431   2.67432
 Alpha virt. eigenvalues --    2.75317   2.75321   2.75322   2.82962   2.82962
 Alpha virt. eigenvalues --    2.82963   2.96854   3.07759   3.07763   3.25432
 Alpha virt. eigenvalues --    3.25437   3.25440
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.483958  -0.525551  -0.525586  -0.525583  -0.525326   0.116612
     2  C   -0.525551   5.419465  -0.205820  -0.205726  -0.205612   0.078916
     3  C   -0.525586  -0.205820   5.419441  -0.205673  -0.205607   0.014438
     4  C   -0.525583  -0.205726  -0.205673   5.419583  -0.205698   0.014457
     5  C   -0.525326  -0.205612  -0.205607  -0.205698   5.419060  -0.030083
     6  H    0.116612   0.078916   0.014438   0.014457  -0.030083   2.236944
     7  H    0.117010   0.078498   0.014418  -0.030105   0.014443  -0.580239
     8  H    0.117236   0.078536  -0.030123   0.014373   0.014397  -0.580184
     9  H    0.117120   0.013856   0.078704   0.014911  -0.030093  -0.098226
    10  H    0.117047  -0.030116   0.078614   0.013908   0.014873   0.025529
    11  H    0.116734   0.014973   0.078600  -0.030083   0.013975   0.019677
    12  H    0.117187   0.014517   0.014301   0.078392  -0.030090  -0.098244
    13  H    0.116699   0.014354  -0.030102   0.078740   0.014561   0.019642
    14  H    0.117004  -0.030100   0.014542   0.078773   0.014253   0.025554
    15  H    0.117085   0.014170   0.014579  -0.030093   0.078769   0.025547
    16  H    0.116894  -0.030064   0.014211   0.014642   0.078472  -0.034238
    17  H    0.117088   0.014589  -0.030063   0.014164   0.078635   0.025552
               7          8          9         10         11         12
     1  C    0.117010   0.117236   0.117120   0.117047   0.116734   0.117187
     2  C    0.078498   0.078536   0.013856  -0.030116   0.014973   0.014517
     3  C    0.014418  -0.030123   0.078704   0.078614   0.078600   0.014301
     4  C   -0.030105   0.014373   0.014911   0.013908  -0.030083   0.078392
     5  C    0.014443   0.014397  -0.030093   0.014873   0.013975  -0.030090
     6  H   -0.580239  -0.580184  -0.098226   0.025529   0.019677  -0.098244
     7  H    2.236919  -0.580210   0.019620   0.025568  -0.098252   0.025554
     8  H   -0.580210   2.236746   0.025538  -0.034239   0.025554   0.019650
     9  H    0.019620   0.025538   2.236823  -0.580239  -0.580273  -0.098257
    10  H    0.025568  -0.034239  -0.580239   2.236974  -0.580183   0.019613
    11  H   -0.098252   0.025554  -0.580273  -0.580183   2.236989   0.025571
    12  H    0.025554   0.019650  -0.098257   0.019613   0.025571   2.236731
    13  H    0.025547  -0.098254   0.025549   0.025546  -0.034238  -0.580218
    14  H   -0.034239   0.025544   0.019676  -0.098249   0.025531  -0.580189
    15  H   -0.098276   0.019634   0.025532   0.019674  -0.098262  -0.034240
    16  H    0.025556   0.025559   0.025570  -0.098276   0.019605   0.025549
    17  H    0.019651  -0.098260  -0.034238   0.025552   0.025565   0.025554
              13         14         15         16         17
     1  C    0.116699   0.117004   0.117085   0.116894   0.117088
     2  C    0.014354  -0.030100   0.014170  -0.030064   0.014589
     3  C   -0.030102   0.014542   0.014579   0.014211  -0.030063
     4  C    0.078740   0.078773  -0.030093   0.014642   0.014164
     5  C    0.014561   0.014253   0.078769   0.078472   0.078635
     6  H    0.019642   0.025554   0.025547  -0.034238   0.025552
     7  H    0.025547  -0.034239  -0.098276   0.025556   0.019651
     8  H   -0.098254   0.025544   0.019634   0.025559  -0.098260
     9  H    0.025549   0.019676   0.025532   0.025570  -0.034238
    10  H    0.025546  -0.098249   0.019674  -0.098276   0.025552
    11  H   -0.034238   0.025531  -0.098262   0.019605   0.025565
    12  H   -0.580218  -0.580189  -0.034240   0.025549   0.025554
    13  H    2.237110  -0.580269   0.025551   0.019673  -0.098276
    14  H   -0.580269   2.236836   0.025559  -0.098267   0.019626
    15  H    0.025551   0.025559   2.237170  -0.580298  -0.580321
    16  H    0.019673  -0.098267  -0.580298   2.237208  -0.580281
    17  H   -0.098276   0.019626  -0.580321  -0.580281   2.237024
 Mulliken charges:
               1
     1  C   -3.785627
     2  C    1.491114
     3  C    1.491125
     4  C    1.491017
     5  C    1.491071
     6  H   -0.181654
     7  H   -0.181463
     8  H   -0.181497
     9  H   -0.181575
    10  H   -0.181595
    11  H   -0.181483
    12  H   -0.181380
    13  H   -0.181615
    14  H   -0.181585
    15  H   -0.181779
    16  H   -0.181514
    17  H   -0.181561
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -3.785627
     2  C    0.946501
     3  C    0.946472
     4  C    0.946438
     5  C    0.946217
 Electronic spatial extent (au):  <R**2>=            484.2697
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.0000    Y=              0.0000    Z=             -0.0000  Tot=              0.0001
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -35.5867   YY=            -35.5866   ZZ=            -35.5865
   XY=             -0.0000   XZ=              0.0000   YZ=             -0.0001
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0001   YY=              0.0000   ZZ=              0.0000
   XY=             -0.0000   XZ=              0.0000   YZ=             -0.0001
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.3812  YYY=             -1.0632  ZZZ=             -0.8600  XYY=              1.7121
  XXY=              0.0183  XXZ=              1.3707  XZZ=             -1.3313  YZZ=              1.0449
  YYZ=             -0.5110  XYZ=              1.8349
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -233.6998 YYYY=           -232.6736 ZZZZ=           -232.9849 XXXY=              1.1179
 XXXZ=             -1.0192 YYYX=             -1.2008 YYYZ=              1.3875 ZZZX=              0.5450
 ZZZY=             -1.7076 XXYY=            -76.5481 XXZZ=            -76.2302 YYZZ=            -77.2401
 XXYZ=              0.3191 YYXZ=              0.4746 ZZXY=              0.0827
 N-N= 1.985943013625D+02 E-N=-8.535445951029D+02  KE= 1.961274434663D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jan 27 18:49:19 2022, MaxMem=  5368709120 cpu:               1.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.97290700D-06-2.40208701D-06-2.94381946D-06
 Polarizability= 6.33545600D+01 1.19950013D-04 6.33541331D+01
                 3.32805354D-04-2.65587197D-04 6.33545491D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0169    0.0127       -0.0084   -0.0035
 2     -0.0169   -0.0127        0.0169    0.0132        0.0084    0.0023
 3      0.0084    0.0035       -0.0108   -0.0052       -0.0182   -0.0132
 4     -0.0169   -0.0132        0.0000    0.0000        0.0090    0.0035
 5      0.0025    0.0030       -0.0090   -0.0035        0.0174    0.0127
 6      0.0182    0.0132       -0.0174   -0.0127        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0382   -0.0382       -0.0105   -0.0105
 2     -0.0395   -0.0395       -0.0000    0.0000       -0.0105   -0.0105
 3     -0.0395   -0.0395       -0.0382   -0.0382        0.0000    0.0000
 4     -0.0382   -0.0382        0.0395    0.0395        0.0068    0.0068
 5      0.0105    0.0105       -0.0157   -0.0157       -0.0395   -0.0395
 6      0.0090    0.0090       -0.0105   -0.0105        0.0382    0.0382
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0327    0.0000        0.2038   -0.0510        0.0547    0.0140
 2     -0.0358    0.0510        0.2257   -0.0526       -0.1470   -0.0090
 3      0.0865   -0.0140       -0.0372    0.0210       -0.0572    0.0526
 4     -0.0710    0.0526       -0.0239    0.0000        0.1630   -0.0140
 5     -0.1402   -0.0119       -0.3120    0.0140        0.0076   -0.0510
 6     -0.0408   -0.0526        0.3043    0.0510        0.1187    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2293    0.0000        0.2100   -0.0024        0.1131    0.0310
 2     -0.1464    0.0024       -0.2112   -0.0760        0.3945    0.0648
 3     -0.4517   -0.0310        0.3605    0.0127       -0.2098    0.0760
 4      0.1542    0.0760       -0.0839    0.0000        0.0832   -0.0310
 5     -0.3274   -0.0775       -0.4346    0.0310       -0.4661   -0.0024
 6      0.0466   -0.0760       -0.1387    0.0024       -0.2309    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.7629    5.2278        2.0415    1.7676        3.0572    3.2327
 2      4.6870    5.2623        2.2338    1.7755        3.1623    3.2327
 3      4.9605    5.2623        1.9441    1.7676        3.0336    3.1974
 4      0.0501   -0.0078       -0.3418   -0.0345        0.3064    0.0812
 5     -0.6207   -0.0353        0.2013   -0.0438       -0.1726    0.0345
 6     -0.3743   -0.0373       -0.3270    0.0353       -0.2643    0.0078
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.9099   -5.0045   -2.3062   -0.0004    0.0003    0.0006
 Low frequencies ---  162.6675  205.5099  229.7027
 Diagonal vibrational polarizability:
        0.7232584       0.7231553       0.7231761
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    162.6664               205.5097               229.7026
 Red. masses --      1.6661                 1.8210                 1.4710
 Frc consts  --      0.0260                 0.0453                 0.0457
 IR Inten    --      0.0000                 0.0000                 0.0001
 RamAct Fr= 1--      0.0001                 0.0011                 0.0160
  Dep-P Fr= 1--      0.3681                 0.6071                 0.7499
  Dep-U Fr= 1--      0.5382                 0.7555                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0000                 0.0001                 0.0023
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.0003                -0.0025                 0.0028
 Delta2 Fr= 1--     -0.0004                 0.0031                 0.0012
 Raman1 Fr= 1--       0.000                  0.004                  0.064
 ROA1   Fr= 1--       0.017                 -0.135                  0.306
 CID1   Fr= 1--      76.882                -30.630                  4.787
 Raman2 Fr= 1--       0.000                  0.002                  0.027
 ROA2   Fr= 1--       0.011                 -0.084                  0.058
 CID2   Fr= 1--     187.085                -50.383                  2.102
 Raman3 Fr= 1--       0.000                  0.003                  0.055
 ROA3   Fr= 1--       0.017                 -0.135                  0.306
 CID3   Fr= 1--     142.859                -40.541                  5.585
 RC180  Fr= 1--       0.076                  0.511                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01  -0.00    -0.01  -0.01   0.00     0.01  -0.01   0.00
     2   6    -0.02   0.02  -0.02    -0.01   0.03   0.01    -0.00  -0.01  -0.02
     3   6    -0.00   0.00   0.01     0.01  -0.00  -0.02    -0.01   0.01   0.01
     4   6    -0.00  -0.00   0.02    -0.02  -0.02   0.03     0.05   0.01   0.01
     5   6     0.03   0.00  -0.01     0.01  -0.02  -0.01    -0.00  -0.03  -0.00
     6   1    -0.01   0.22   0.09    -0.03  -0.09  -0.04    -0.08  -0.45  -0.22
     7   1    -0.15  -0.00  -0.21     0.10   0.06   0.11     0.30   0.05   0.36
     8   1     0.10  -0.16   0.05    -0.10   0.15  -0.02    -0.25   0.40  -0.21
     9   1     0.27  -0.15  -0.19     0.28  -0.13  -0.21     0.04  -0.01  -0.02
    10   1    -0.19   0.30  -0.11    -0.18   0.26  -0.16    -0.05   0.10   0.00
    11   1    -0.10  -0.15   0.35    -0.07  -0.13   0.28    -0.06  -0.03   0.08
    12   1    -0.19  -0.10   0.05     0.04   0.03   0.03     0.15   0.09   0.00
    13   1     0.05   0.08  -0.17    -0.06  -0.06   0.12     0.04  -0.06   0.11
    14   1     0.13   0.01   0.18    -0.07  -0.06  -0.04    -0.03   0.02  -0.08
    15   1     0.28   0.16  -0.06    -0.34  -0.22   0.01     0.17   0.08  -0.04
    16   1     0.01  -0.28  -0.13     0.07   0.34   0.18    -0.04  -0.23  -0.12
    17   1    -0.19   0.12   0.14     0.33  -0.19  -0.24    -0.17   0.03   0.14
                      4                      5                      6
                      A                      A                      A
 Frequencies --    265.8201               301.2204               303.2228
 Red. masses --      1.0676                 2.5625                 2.4883
 Frc consts  --      0.0444                 0.1370                 0.1348
 IR Inten    --      0.0000                 0.0001                 0.0019
 RamAct Fr= 1--      0.0028                 0.9478                 0.9539
  Dep-P Fr= 1--      0.3610                 0.7498                 0.7497
  Dep-U Fr= 1--      0.5305                 0.8570                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0002                 0.1354                 0.1362
 AlphaG Fr= 1--     -0.0001                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.0078                -0.0005                 0.0061
 Delta2 Fr= 1--     -0.0099                 0.0039                 0.0061
 Raman1 Fr= 1--       0.011                  3.791                  3.815
 ROA1   Fr= 1--       0.433                  0.073                  0.784
 CID1   Fr= 1--      39.293                  0.019                  0.206
 Raman2 Fr= 1--       0.003                  1.625                  1.635
 ROA2   Fr= 1--       0.267                 -0.045                  0.098
 CID2   Fr= 1--      91.254                 -0.027                  0.060
 Raman3 Fr= 1--       0.006                  3.249                  3.270
 ROA3   Fr= 1--       0.433                  0.073                  0.784
 CID3   Fr= 1--      74.063                  0.023                  0.240
 RC180  Fr= 1--       0.061                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01   0.03  -0.03     0.00  -0.02  -0.01
     2   6    -0.01   0.00  -0.02     0.03   0.15   0.05     0.11  -0.03   0.12
     3   6    -0.01  -0.01   0.02    -0.01  -0.07   0.13    -0.11   0.08   0.02
     4   6    -0.01   0.00  -0.00     0.04   0.08  -0.13    -0.12  -0.06  -0.10
     5   6     0.02   0.02  -0.01    -0.05  -0.13  -0.08     0.14   0.00  -0.05
     6   1    -0.01   0.13   0.05     0.06   0.28   0.10     0.27  -0.08   0.03
     7   1    -0.10  -0.02  -0.13     0.10   0.23  -0.06     0.19  -0.03   0.27
     8   1     0.07  -0.11   0.02    -0.04   0.12   0.20    -0.00   0.00   0.24
     9   1     0.01  -0.05  -0.00    -0.17  -0.24   0.11    -0.13   0.19   0.08
    10   1    -0.01   0.03   0.03     0.10  -0.01   0.30    -0.11   0.21   0.08
    11   1    -0.02  -0.03   0.07    -0.00  -0.10   0.24    -0.31   0.00  -0.07
    12   1     0.46   0.28  -0.06     0.10  -0.00  -0.20    -0.14  -0.19  -0.17
    13   1    -0.15  -0.22   0.48     0.07   0.10  -0.20    -0.24   0.07  -0.12
    14   1    -0.34  -0.06  -0.43     0.01   0.20  -0.13    -0.14  -0.12  -0.15
    15   1     0.09   0.06  -0.02    -0.20  -0.17  -0.22     0.24   0.09  -0.14
    16   1     0.03  -0.06  -0.02    -0.10  -0.12  -0.13     0.27  -0.13   0.05
    17   1    -0.03   0.06   0.01     0.05  -0.32   0.01     0.12   0.08  -0.13
                      7                      8                      9
                      A                      A                      A
 Frequencies --    376.6837               380.0738               390.1220
 Red. masses --      2.4535                 2.4394                 2.2662
 Frc consts  --      0.2051                 0.2076                 0.2032
 IR Inten    --      0.0497                 0.0541                 0.0367
 RamAct Fr= 1--      0.2042                 0.2246                 0.2589
  Dep-P Fr= 1--      0.7404                 0.7459                 0.7351
  Dep-U Fr= 1--      0.8509                 0.8544                 0.8474
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0290                 0.0320                 0.0366
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0179                -0.0007                -0.0036
 Delta2 Fr= 1--     -0.0062                -0.0024                -0.0075
 Raman1 Fr= 1--       0.817                  0.898                  1.035
 ROA1   Fr= 1--      -1.914                 -0.142                 -0.585
 CID1   Fr= 1--      -2.343                 -0.158                 -0.565
 Raman2 Fr= 1--       0.348                  0.384                  0.439
 ROA2   Fr= 1--      -0.380                  0.003                 -0.027
 CID2   Fr= 1--      -1.093                  0.007                 -0.060
 Raman3 Fr= 1--       0.695                  0.768                  0.877
 ROA3   Fr= 1--      -1.914                 -0.142                 -0.585
 CID3   Fr= 1--      -2.754                 -0.185                 -0.667
 RC180  Fr= 1--       0.702                  0.709                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14   0.02  -0.05    -0.01  -0.09  -0.12     0.05  -0.12   0.07
     2   6     0.10   0.03  -0.12     0.06   0.08   0.02    -0.09   0.10  -0.03
     3   6     0.02   0.07   0.07    -0.10  -0.09  -0.04    -0.02   0.02  -0.02
     4   6    -0.08  -0.14   0.02     0.13  -0.09   0.07     0.07  -0.06  -0.13
     5   6    -0.07  -0.00   0.03    -0.04   0.10  -0.02     0.04  -0.05   0.15
     6   1     0.02   0.02  -0.10     0.16   0.19   0.05    -0.34   0.24   0.15
     7   1     0.06   0.02  -0.17     0.22   0.19  -0.02    -0.03   0.23  -0.33
     8   1     0.17   0.03  -0.22    -0.11   0.09   0.26    -0.11   0.12  -0.04
     9   1    -0.07   0.09   0.12    -0.19  -0.12  -0.02     0.09   0.25   0.04
    10   1     0.10   0.26   0.23    -0.05   0.01   0.07    -0.10   0.08  -0.10
    11   1    -0.17  -0.02   0.06    -0.21  -0.15  -0.03    -0.17  -0.01  -0.17
    12   1    -0.21  -0.16   0.07     0.09   0.11   0.20     0.20  -0.20  -0.27
    13   1    -0.28  -0.01   0.12     0.28  -0.25   0.09     0.06  -0.01  -0.20
    14   1    -0.04  -0.43  -0.01     0.20  -0.09   0.15    -0.01   0.11  -0.18
    15   1    -0.18  -0.10   0.18     0.06   0.09   0.24     0.05  -0.07   0.26
    16   1    -0.27   0.17  -0.14    -0.07   0.23  -0.02     0.01   0.02   0.15
    17   1    -0.09  -0.10   0.17    -0.15   0.31  -0.13     0.00   0.01   0.13
                     10                     11                     12
                      A                      A                      A
 Frequencies --    678.3809               746.3914               783.9661
 Red. masses --      3.3653                 2.4109                 2.4783
 Frc consts  --      0.9125                 0.7913                 0.8974
 IR Inten    --      0.0497                 0.0773                 0.1236
 RamAct Fr= 1--     16.8380                 0.7442                 1.5004
  Dep-P Fr= 1--      0.0062                 0.4900                 0.6739
  Dep-U Fr= 1--      0.0123                 0.6577                 0.8052
 Alpha2 Fr= 1--      0.3688                 0.0038                 0.0020
 Beta2  Fr= 1--      0.0346                 0.0816                 0.2014
 AlphaG Fr= 1--      0.0003                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.0413                 0.1909                -0.1640
 Delta2 Fr= 1--      0.0446                 0.2216                -0.2100
 Raman1 Fr= 1--      67.352                  2.977                  6.002
 ROA1   Fr= 1--       5.396                 25.416                -22.462
 CID1   Fr= 1--       0.080                  8.538                 -3.743
 Raman2 Fr= 1--       0.416                  0.979                  2.416
 ROA2   Fr= 1--       0.635                  2.808                 -2.255
 CID2   Fr= 1--       1.528                  2.869                 -0.933
 Raman3 Fr= 1--       0.831                  1.958                  4.833
 ROA3   Fr= 1--       5.396                 25.416                -22.462
 CID3   Fr= 1--       6.490                 12.981                 -4.648
 RC180  Fr= 1--      -0.975                  0.315                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04   0.01    -0.03  -0.01   0.00    -0.01   0.02  -0.01
     2   6     0.17   0.08  -0.08     0.02   0.02   0.03     0.06  -0.00  -0.10
     3   6    -0.14  -0.12  -0.11     0.04   0.11  -0.07    -0.15   0.12   0.07
     4   6    -0.08   0.15   0.04     0.02  -0.05  -0.01     0.05  -0.08  -0.03
     5   6     0.05  -0.04   0.17    -0.11  -0.09   0.04     0.02  -0.02   0.05
     6   1     0.14   0.02  -0.10    -0.16  -0.03   0.08     0.17   0.10  -0.09
     7   1     0.10   0.04  -0.09    -0.06   0.01  -0.07     0.19   0.07  -0.09
     8   1     0.31   0.07  -0.28     0.16   0.06  -0.23    -0.12   0.01   0.15
     9   1    -0.25  -0.25  -0.14    -0.23  -0.21  -0.12    -0.04  -0.15  -0.13
    10   1    -0.15  -0.16  -0.13     0.26   0.19   0.23    -0.24  -0.33  -0.20
    11   1    -0.23  -0.18  -0.12     0.13   0.08   0.17     0.45   0.39   0.27
    12   1    -0.09   0.17   0.07     0.03  -0.08  -0.03    -0.01  -0.17  -0.05
    13   1    -0.08   0.14   0.05     0.03  -0.03  -0.04    -0.11   0.05   0.02
    14   1    -0.07   0.14   0.06     0.01  -0.01  -0.01     0.04  -0.24  -0.09
    15   1     0.04  -0.03   0.10     0.11   0.03   0.05     0.03  -0.03   0.10
    16   1     0.14  -0.14   0.25     0.23  -0.18   0.42     0.02  -0.00   0.06
    17   1     0.11  -0.15   0.24    -0.13   0.25  -0.38    -0.01  -0.01   0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    800.9850               830.7417               855.6644
 Red. masses --      2.8015                 2.4785                 2.1627
 Frc consts  --      1.0590                 1.0078                 0.9329
 IR Inten    --      0.4303                 0.2797                 0.3405
 RamAct Fr= 1--      4.0181                 4.6175                 3.3121
  Dep-P Fr= 1--      0.7500                 0.4539                 0.3535
  Dep-U Fr= 1--      0.8571                 0.6244                 0.5224
 Alpha2 Fr= 1--      0.0000                 0.0279                 0.0287
 Beta2  Fr= 1--      0.5740                 0.4805                 0.2883
 AlphaG Fr= 1--     -0.0000                 0.0001                -0.0005
 Gamma2 Fr= 1--     -0.0412                -0.2256                -0.0565
 Delta2 Fr= 1--     -0.0482                -0.2882                -0.0837
 Raman1 Fr= 1--      16.072                 18.470                 13.248
 ROA1   Fr= 1--      -5.496                -30.877                 -8.100
 CID1   Fr= 1--      -0.342                 -1.672                 -0.611
 Raman2 Fr= 1--       6.888                  5.766                  3.460
 ROA2   Fr= 1--      -0.603                 -3.109                 -0.686
 CID2   Fr= 1--      -0.088                 -0.539                 -0.198
 Raman3 Fr= 1--      13.776                 11.532                  6.920
 ROA3   Fr= 1--      -5.496                -30.877                 -8.100
 CID3   Fr= 1--      -0.399                 -2.677                 -1.170
 RC180  Fr= 1--       0.714                  0.249                  0.045
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.04  -0.09     0.03   0.05   0.09    -0.06   0.07  -0.03
     2   6    -0.14  -0.06   0.01    -0.04   0.06   0.17    -0.00   0.03   0.01
     3   6     0.03   0.07  -0.15    -0.09   0.01  -0.06     0.01  -0.02   0.02
     4   6     0.01   0.01  -0.02     0.07  -0.11  -0.00     0.06  -0.13  -0.08
     5   6     0.12   0.01   0.10     0.06   0.06  -0.07    -0.09   0.16   0.05
     6   1     0.00  -0.02  -0.02    -0.20  -0.15   0.12     0.03  -0.01  -0.02
     7   1    -0.09  -0.06   0.12    -0.30  -0.10   0.19    -0.07  -0.03   0.05
     8   1    -0.30  -0.10   0.30     0.34   0.03  -0.35     0.07   0.00  -0.06
     9   1    -0.32  -0.30  -0.20    -0.21  -0.23  -0.13     0.04   0.08   0.05
    10   1     0.28   0.24   0.21    -0.07  -0.11  -0.08    -0.02   0.02  -0.01
    11   1     0.01  -0.00   0.06     0.00   0.03   0.04    -0.02  -0.01  -0.03
    12   1    -0.07   0.07   0.06     0.16  -0.31  -0.16    -0.03   0.13   0.12
    13   1    -0.03  -0.00   0.04    -0.01   0.03  -0.08     0.22  -0.35   0.01
    14   1     0.06  -0.14  -0.01    -0.01  -0.02  -0.08     0.19  -0.23   0.05
    15   1     0.02  -0.06   0.15    -0.03   0.01  -0.05    -0.19   0.23  -0.44
    16   1    -0.02   0.05  -0.04    -0.16   0.17  -0.30     0.17  -0.31   0.20
    17   1     0.12  -0.21   0.39     0.03  -0.03   0.08     0.22  -0.28   0.18
                     16                     17                     18
                      A                      A                      A
 Frequencies --    927.6658              1000.9948              1008.2404
 Red. masses --      1.5646                 1.7215                 1.8158
 Frc consts  --      0.7933                 1.0163                 1.0876
 IR Inten    --      0.2498                 0.2057                 0.0718
 RamAct Fr= 1--      2.6646                 2.0255                 2.9354
  Dep-P Fr= 1--      0.7156                 0.6945                 0.7462
  Dep-U Fr= 1--      0.8342                 0.8197                 0.8547
 Alpha2 Fr= 1--      0.0016                 0.0020                 0.0002
 Beta2  Fr= 1--      0.3705                 0.2767                 0.4181
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.3522                -0.1329                 0.0706
 Delta2 Fr= 1--      0.5420                -0.1488                 0.1280
 Raman1 Fr= 1--      10.658                  8.102                 11.742
 ROA1   Fr= 1--      51.159                -17.521                 10.875
 CID1   Fr= 1--       4.800                 -2.163                  0.926
 Raman2 Fr= 1--       4.446                  3.320                  5.018
 ROA2   Fr= 1--       4.118                 -2.000                  0.670
 CID2   Fr= 1--       0.926                 -0.602                  0.134
 Raman3 Fr= 1--       8.892                  6.641                 10.035
 ROA3   Fr= 1--      51.159                -17.521                 10.875
 CID3   Fr= 1--       5.754                 -2.638                  1.084
 RC180  Fr= 1--       0.668                  0.639                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.01  -0.03    -0.05  -0.09  -0.03    -0.02  -0.05   0.10
     2   6    -0.02   0.10  -0.05     0.07  -0.07   0.08     0.07  -0.05  -0.09
     3   6     0.01   0.01   0.01    -0.04   0.03  -0.01     0.02   0.03  -0.05
     4   6    -0.05  -0.07   0.00    -0.10   0.02  -0.05    -0.03  -0.05   0.12
     5   6     0.06  -0.06   0.02     0.06   0.02  -0.00    -0.04   0.11  -0.02
     6   1     0.38  -0.08  -0.31    -0.28   0.07   0.29     0.02   0.08  -0.00
     7   1    -0.15  -0.11   0.35     0.16   0.12  -0.36     0.20   0.06  -0.18
     8   1     0.16  -0.11  -0.01     0.04   0.15  -0.18    -0.12   0.02   0.10
     9   1     0.05   0.10   0.04     0.01   0.06  -0.01    -0.10  -0.07  -0.05
    10   1     0.03   0.08   0.06     0.03   0.05   0.08     0.09   0.06   0.05
    11   1     0.09   0.05   0.05     0.20   0.12   0.12    -0.01  -0.01   0.03
    12   1     0.18   0.03  -0.05    -0.07   0.39   0.15     0.33  -0.39  -0.24
    13   1     0.30  -0.29  -0.17     0.25  -0.34  -0.03     0.04   0.09  -0.19
    14   1    -0.09   0.39   0.10     0.03   0.19   0.17    -0.26   0.50  -0.00
    15   1     0.05  -0.10   0.18     0.01  -0.02   0.03    -0.10   0.12  -0.20
    16   1    -0.02   0.10  -0.00    -0.07   0.06  -0.15    -0.03  -0.10  -0.08
    17   1    -0.05   0.01   0.10     0.07  -0.06   0.09     0.13  -0.09   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1075.4540              1078.2113              1084.3416
 Red. masses --      2.2156                 2.1733                 2.2941
 Frc consts  --      1.5098                 1.4886                 1.5893
 IR Inten    --      2.2968                 4.0829                 5.1619
 RamAct Fr= 1--      2.2582                 1.8562                 1.0029
  Dep-P Fr= 1--      0.7447                 0.7497                 0.7448
  Dep-U Fr= 1--      0.8537                 0.8570                 0.8538
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0001
 Beta2  Fr= 1--      0.3213                 0.2651                 0.1427
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0233                -0.0504                 0.1077
 Delta2 Fr= 1--     -0.0788                -0.0340                 0.1716
 Raman1 Fr= 1--       9.033                  7.425                  4.012
 ROA1   Fr= 1--      -4.761                 -5.921                 15.831
 CID1   Fr= 1--      -0.527                 -0.797                  3.946
 Raman2 Fr= 1--       3.856                  3.181                  1.713
 ROA2   Fr= 1--       0.070                 -0.937                  1.213
 CID2   Fr= 1--       0.018                 -0.294                  0.708
 Raman3 Fr= 1--       7.711                  6.363                  3.425
 ROA3   Fr= 1--      -4.761                 -5.921                 15.831
 CID3   Fr= 1--      -0.617                 -0.931                  4.622
 RC180  Fr= 1--       0.707                  0.714                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.01    -0.00   0.00   0.01    -0.02   0.01  -0.01
     2   6     0.01  -0.01   0.02    -0.00   0.00  -0.00     0.01  -0.02   0.02
     3   6    -0.11   0.04  -0.02     0.05   0.04  -0.11    -0.00  -0.12  -0.04
     4   6     0.01   0.00   0.02     0.00   0.00  -0.01     0.03   0.01   0.04
     5   6    -0.01   0.01  -0.09     0.00  -0.00  -0.00    -0.01  -0.00  -0.13
     6   1    -0.02   0.01   0.03     0.00  -0.01  -0.01    -0.07   0.01   0.06
     7   1     0.00   0.01  -0.03    -0.02  -0.01  -0.00     0.03   0.02  -0.07
     8   1     0.01   0.02  -0.03    -0.01  -0.00   0.01     0.00   0.03  -0.03
     9   1     0.49   0.07  -0.27    -0.24   0.41   0.21    -0.20   0.19   0.21
    10   1     0.33  -0.33   0.38     0.11  -0.37  -0.18    -0.16   0.38  -0.06
    11   1    -0.19  -0.02   0.02    -0.14  -0.29   0.65     0.35   0.04   0.04
    12   1     0.02  -0.10  -0.04    -0.02   0.03   0.02     0.04  -0.17  -0.07
    13   1    -0.04   0.08  -0.01    -0.00  -0.00   0.00    -0.11   0.17   0.00
    14   1    -0.04   0.00  -0.04     0.02  -0.04  -0.01    -0.04  -0.03  -0.07
    15   1    -0.00  -0.00  -0.03     0.02   0.00   0.01     0.01  -0.01  -0.02
    16   1     0.20   0.16   0.20     0.01   0.02   0.01     0.28   0.24   0.29
    17   1    -0.18  -0.08   0.28    -0.01  -0.01   0.02    -0.28  -0.10   0.38
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1094.9366              1206.4778              1231.1469
 Red. masses --      2.4582                 3.4036                 2.4592
 Frc consts  --      1.7364                 2.9190                 2.1962
 IR Inten    --      1.0658                 4.3415                 4.6018
 RamAct Fr= 1--      1.5880                 9.6670                 9.2070
  Dep-P Fr= 1--      0.1875                 0.7277                 0.7493
  Dep-U Fr= 1--      0.3157                 0.8424                 0.8567
 Alpha2 Fr= 1--      0.0223                 0.0037                 0.0001
 Beta2  Fr= 1--      0.0836                 1.3572                 1.3146
 AlphaG Fr= 1--      0.0002                 0.0000                 0.0001
 Gamma2 Fr= 1--      0.0186                -0.6030                 0.7444
 Delta2 Fr= 1--     -0.1742                -0.3010                 0.2892
 Raman1 Fr= 1--       6.352                 38.668                 36.828
 ROA1   Fr= 1--      -3.788                -67.521                 80.718
 CID1   Fr= 1--      -0.596                 -1.746                  2.192
 Raman2 Fr= 1--       1.003                 16.286                 15.775
 ROA2   Fr= 1--       1.841                -12.064                 15.552
 CID2   Fr= 1--       1.835                 -0.741                  0.986
 Raman3 Fr= 1--       2.006                 32.572                 31.550
 ROA3   Fr= 1--      -3.788                -67.521                 80.718
 CID3   Fr= 1--      -1.889                 -2.073                  2.558
 RC180  Fr= 1--      -0.369                  0.685                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05  -0.03    -0.17   0.21   0.22     0.09  -0.15   0.22
     2   6    -0.03   0.04   0.01     0.08  -0.07  -0.07    -0.04   0.09  -0.08
     3   6    -0.14  -0.13  -0.10    -0.02  -0.08  -0.07    -0.03   0.01  -0.05
     4   6     0.06   0.05   0.03     0.05  -0.06  -0.08    -0.03   0.04  -0.08
     5   6    -0.00   0.04   0.09     0.09  -0.12   0.06    -0.02   0.03  -0.05
     6   1     0.12  -0.02  -0.09     0.17   0.25   0.05    -0.14  -0.29  -0.21
     7   1    -0.01   0.01   0.11     0.04  -0.03  -0.22     0.31   0.16   0.25
     8   1     0.09  -0.04  -0.05    -0.17   0.15   0.01     0.16  -0.30   0.18
     9   1     0.19   0.36   0.00     0.04   0.07  -0.03    -0.08  -0.06  -0.07
    10   1     0.11   0.19   0.33     0.10   0.12   0.16     0.03   0.05   0.05
    11   1     0.35   0.05   0.14    -0.02  -0.09  -0.06     0.08   0.04   0.03
    12   1    -0.06  -0.13  -0.02    -0.08   0.04   0.05    -0.18   0.30   0.15
    13   1    -0.23   0.28   0.08     0.04  -0.16   0.08     0.00  -0.14   0.14
    14   1    -0.01  -0.15  -0.10     0.15  -0.23   0.00     0.15  -0.10   0.11
    15   1    -0.00   0.03   0.08    -0.06  -0.02  -0.49    -0.10   0.07  -0.34
    16   1    -0.17  -0.22  -0.20    -0.17   0.25  -0.11     0.02   0.10   0.01
    17   1     0.25   0.00  -0.21    -0.14   0.23  -0.07    -0.10   0.03   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1234.7577              1316.0450              1325.3317
 Red. masses --      3.0210                 1.5407                 1.2524
 Frc consts  --      2.7138                 1.5722                 1.2961
 IR Inten    --      2.6109                 6.4210                 5.4672
 RamAct Fr= 1--      8.8401                 2.2427                 2.6411
  Dep-P Fr= 1--      0.7307                 0.7478                 0.7490
  Dep-U Fr= 1--      0.8444                 0.8557                 0.8565
 Alpha2 Fr= 1--      0.0029                 0.0001                 0.0000
 Beta2  Fr= 1--      1.2441                 0.3199                 0.3770
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0001
 Gamma2 Fr= 1--     -0.0912                 0.5660                -0.1901
 Delta2 Fr= 1--     -0.0489                 0.5995                -0.2168
 Raman1 Fr= 1--      35.361                  8.971                 10.564
 ROA1   Fr= 1--     -10.324                 73.520                -25.189
 CID1   Fr= 1--      -0.292                  8.195                 -2.384
 Raman2 Fr= 1--      14.929                  3.838                  4.524
 ROA2   Fr= 1--      -1.799                  8.788                 -2.828
 CID2   Fr= 1--      -0.120                  2.289                 -0.625
 Raman3 Fr= 1--      29.858                  7.676                  9.048
 ROA3   Fr= 1--     -10.324                 73.520                -25.189
 CID3   Fr= 1--      -0.346                  9.577                 -2.784
 RC180  Fr= 1--       0.689                  0.711                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.29   0.19  -0.00     0.06   0.03  -0.09     0.00  -0.01   0.03
     2   6     0.01  -0.02  -0.02    -0.12  -0.04   0.05    -0.01  -0.00  -0.00
     3   6    -0.13  -0.09  -0.04    -0.01  -0.00   0.01     0.00   0.00  -0.00
     4   6    -0.11  -0.07  -0.00    -0.02  -0.01   0.04     0.00   0.01  -0.01
     5   6    -0.05  -0.04   0.01     0.01  -0.04   0.07    -0.08  -0.03  -0.01
     6   1    -0.31  -0.09   0.09     0.26   0.12  -0.01     0.14   0.07  -0.02
     7   1    -0.29  -0.20   0.07     0.55   0.36  -0.03    -0.04  -0.02  -0.01
     8   1    -0.18   0.02   0.21     0.12  -0.14  -0.17    -0.02   0.03  -0.03
     9   1     0.05   0.13  -0.02     0.01   0.02   0.01    -0.01  -0.01  -0.00
    10   1    -0.07  -0.02   0.07    -0.02  -0.03  -0.02     0.00   0.01   0.00
    11   1     0.14   0.01   0.05     0.00   0.00   0.02    -0.00   0.00  -0.01
    12   1     0.23   0.20  -0.00     0.10  -0.02  -0.03    -0.04  -0.01   0.00
    13   1     0.24  -0.25  -0.19     0.05   0.03  -0.12     0.01  -0.04   0.04
    14   1    -0.03   0.36   0.20    -0.08   0.08  -0.02     0.02  -0.02   0.00
    15   1     0.08   0.04  -0.02    -0.01   0.13  -0.55     0.78   0.44   0.03
    16   1     0.02  -0.02   0.10    -0.06   0.12   0.05    -0.10   0.22   0.03
    17   1    -0.04   0.06  -0.13    -0.05   0.08   0.00     0.16  -0.25  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1327.8905              1339.9689              1412.9414
 Red. masses --      1.4743                 1.3530                 1.2428
 Frc consts  --      1.5316                 1.4314                 1.4619
 IR Inten    --      2.9455                 3.3347                 5.0891
 RamAct Fr= 1--      4.0057                 4.3437                 0.1763
  Dep-P Fr= 1--      0.7256                 0.7489                 0.7496
  Dep-U Fr= 1--      0.8410                 0.8564                 0.8569
 Alpha2 Fr= 1--      0.0017                 0.0001                 0.0000
 Beta2  Fr= 1--      0.5615                 0.6200                 0.0252
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -1.1346                 0.6863                 0.0180
 Delta2 Fr= 1--     -0.6416                 0.3755                 0.0172
 Raman1 Fr= 1--      16.023                 17.375                  0.705
 ROA1   Fr= 1--    -129.456                 77.903                  2.273
 CID1   Fr= 1--      -8.079                  4.484                  3.224
 Raman2 Fr= 1--       6.737                  7.440                  0.302
 ROA2   Fr= 1--     -22.099                 13.467                  0.293
 CID2   Fr= 1--      -3.280                  1.810                  0.971
 Raman3 Fr= 1--      13.475                 14.880                  0.604
 ROA3   Fr= 1--    -129.456                 77.903                  2.273
 CID3   Fr= 1--      -9.607                  5.236                  3.762
 RC180  Fr= 1--       0.682                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.01   0.10    -0.06   0.13   0.01    -0.01   0.02   0.01
     2   6    -0.08  -0.06   0.01    -0.01  -0.01  -0.01    -0.01  -0.01  -0.00
     3   6    -0.01  -0.01  -0.02     0.00  -0.02  -0.00     0.01   0.00   0.00
     4   6    -0.03   0.01  -0.03    -0.00  -0.01   0.00     0.07  -0.12  -0.04
     5   6    -0.02   0.04  -0.07    -0.01  -0.00  -0.04    -0.00   0.00  -0.01
     6   1     0.62   0.43  -0.01    -0.37  -0.20   0.04    -0.02   0.07   0.05
     7   1     0.13   0.07   0.02     0.53   0.30  -0.02     0.11   0.04   0.06
     8   1    -0.06   0.09  -0.21     0.13  -0.22   0.07     0.02  -0.02  -0.03
     9   1    -0.03  -0.02  -0.02     0.03   0.02   0.00     0.00  -0.01   0.00
    10   1     0.00   0.01   0.01     0.01  -0.00   0.02     0.00  -0.00  -0.01
    11   1     0.01  -0.00   0.00    -0.04  -0.03  -0.02    -0.02  -0.01  -0.01
    12   1     0.03   0.05  -0.02     0.07  -0.09  -0.07    -0.20   0.39   0.35
    13   1     0.07  -0.13   0.04     0.11  -0.09  -0.05    -0.43   0.34   0.04
    14   1     0.09  -0.06   0.09     0.02  -0.11  -0.01    -0.10   0.55  -0.00
    15   1    -0.10  -0.16   0.45     0.14  -0.07   0.50     0.03  -0.01   0.11
    16   1     0.10  -0.15  -0.00     0.02  -0.08  -0.03     0.01  -0.02  -0.00
    17   1    -0.01  -0.03  -0.02     0.07  -0.07  -0.04     0.01  -0.02  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1473.5385              1498.4142              1501.1335
 Red. masses --      1.0758                 1.0529                 1.0589
 Frc consts  --      1.3762                 1.3929                 1.4058
 IR Inten    --      2.7233                 4.8296                 6.8871
 RamAct Fr= 1--      5.0874                 4.8915                 2.6613
  Dep-P Fr= 1--      0.7456                 0.7500                 0.7494
  Dep-U Fr= 1--      0.8543                 0.8571                 0.8568
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0000
 Beta2  Fr= 1--      0.7243                 0.6988                 0.3800
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0483                 0.0006                -0.0500
 Delta2 Fr= 1--     -0.0010                -0.0078                -0.0449
 Raman1 Fr= 1--      20.350                 19.566                 10.645
 ROA1   Fr= 1--      -4.665                 -0.193                 -6.234
 CID1   Fr= 1--      -0.229                 -0.010                 -0.586
 Raman2 Fr= 1--       8.692                  8.385                  4.560
 ROA2   Fr= 1--      -1.150                  0.076                 -0.840
 CID2   Fr= 1--      -0.132                  0.009                 -0.184
 Raman3 Fr= 1--      17.384                 16.771                  9.120
 ROA3   Fr= 1--      -4.665                 -0.193                 -6.234
 CID3   Fr= 1--      -0.268                 -0.012                 -0.684
 RC180  Fr= 1--       0.709                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01     0.01   0.02  -0.03    -0.03  -0.01  -0.02
     2   6     0.01  -0.02  -0.06    -0.01  -0.00   0.01     0.01  -0.00  -0.02
     3   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.00   0.00
     4   6     0.01   0.02   0.01     0.02   0.02  -0.04    -0.04  -0.01  -0.02
     5   6     0.00  -0.00   0.01     0.00  -0.00   0.01     0.00  -0.00   0.01
     6   1    -0.27   0.49   0.34    -0.02  -0.03  -0.00    -0.12   0.16   0.12
     7   1     0.12  -0.16   0.63     0.03   0.03  -0.02     0.05  -0.05   0.22
     8   1     0.02  -0.01  -0.06     0.00  -0.01   0.00     0.02  -0.01  -0.03
     9   1    -0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.00   0.00
    10   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01     0.01  -0.00  -0.00
    11   1     0.01   0.00   0.01    -0.00  -0.00   0.01    -0.01  -0.00  -0.00
    12   1    -0.19  -0.08   0.04    -0.29  -0.44  -0.15     0.52   0.08  -0.22
    13   1     0.14  -0.09  -0.03    -0.12  -0.32   0.61    -0.31   0.18   0.13
    14   1    -0.14  -0.02  -0.18     0.09   0.40   0.19     0.41  -0.07   0.49
    15   1     0.00   0.01  -0.04    -0.02  -0.01  -0.02     0.02   0.02  -0.04
    16   1    -0.01   0.01   0.00     0.00  -0.00   0.01    -0.01   0.02   0.00
    17   1     0.00   0.00   0.00    -0.00   0.01   0.00     0.01  -0.01   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   2169.9602              2206.8759              2245.0276
 Red. masses --      2.1312                 2.1899                 2.2671
 Frc consts  --      5.9125                 6.2840                 6.7324
 IR Inten    --     15.7796                13.5968                14.6448
 RamAct Fr= 1--     70.8288                73.5247                62.3826
  Dep-P Fr= 1--      0.0029                 0.0570                 0.1761
  Dep-U Fr= 1--      0.0058                 0.1079                 0.2994
 Alpha2 Fr= 1--      1.5633                 1.4282                 0.9020
 Beta2  Fr= 1--      0.0687                 1.3223                 3.1134
 AlphaG Fr= 1--      0.0029                -0.0013                 0.0006
 Gamma2 Fr= 1--     -0.0480                 0.4334                -0.5790
 Delta2 Fr= 1--     -0.0423                 0.3996                -0.5381
 Raman1 Fr= 1--     283.315                294.099                249.530
 ROA1   Fr= 1--      -5.959                 54.395                -72.804
 CID1   Fr= 1--      -0.021                  0.185                 -0.292
 Raman2 Fr= 1--       0.824                 15.868                 37.361
 ROA2   Fr= 1--      -0.813                  7.205                 -9.591
 CID2   Fr= 1--      -0.986                  0.454                 -0.257
 Raman3 Fr= 1--       1.648                 31.735                 74.722
 ROA3   Fr= 1--      -5.959                 54.395                -72.804
 CID3   Fr= 1--      -3.615                  1.714                 -0.974
 RC180  Fr= 1--      -0.988                 -0.784                 -0.401
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.11  -0.10  -0.06
     3   6    -0.07  -0.07  -0.05    -0.00  -0.01  -0.00     0.00   0.00   0.01
     4   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.01    -0.01   0.04   0.13     0.00   0.00  -0.01
     6   1    -0.00   0.00  -0.00    -0.01   0.00  -0.01    -0.03   0.03  -0.07
     7   1    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.03  -0.07  -0.02
     8   1     0.01   0.01   0.01     0.03   0.03   0.02     0.64   0.60   0.43
     9   1     0.21  -0.25   0.47     0.01  -0.01   0.02    -0.01   0.01  -0.02
    10   1     0.44   0.13  -0.35     0.03   0.01  -0.02     0.01   0.00  -0.01
    11   1    -0.26   0.49   0.15    -0.02   0.04   0.01     0.01  -0.02  -0.01
    12   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.01     0.00  -0.00   0.00
    13   1     0.01  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
    15   1     0.00  -0.01  -0.00    -0.05   0.09   0.03     0.00  -0.00  -0.00
    16   1    -0.03  -0.01   0.03     0.52   0.15  -0.44    -0.03  -0.01   0.03
    17   1     0.03   0.03   0.02    -0.45  -0.42  -0.32     0.01   0.01   0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   2283.2458              2284.5071              2285.8465
 Red. masses --      2.3739                 2.3768                 2.3789
 Frc consts  --      7.2915                 7.3086                 7.3235
 IR Inten    --      8.1905                15.9417                24.5538
 RamAct Fr= 1--     19.3657                37.6237                56.4562
  Dep-P Fr= 1--      0.7462                 0.7489                 0.7500
  Dep-U Fr= 1--      0.8547                 0.8564                 0.8571
 Alpha2 Fr= 1--      0.0012                 0.0007                 0.0000
 Beta2  Fr= 1--      2.7586                 5.3701                 8.0651
 AlphaG Fr= 1--      0.0001                 0.0000                 0.0000
 Gamma2 Fr= 1--      1.4784                -0.2079                -1.1852
 Delta2 Fr= 1--      1.3929                -0.1847                -1.1080
 Raman1 Fr= 1--      77.463                150.495                225.825
 ROA1   Fr= 1--     186.503                -25.869               -149.232
 CID1   Fr= 1--       2.408                 -0.172                 -0.661
 Raman2 Fr= 1--      33.103                 64.441                 96.781
 ROA2   Fr= 1--      24.339                 -3.513                -19.579
 CID2   Fr= 1--       0.735                 -0.055                 -0.202
 Raman3 Fr= 1--      66.206                128.882                193.563
 ROA3   Fr= 1--     186.503                -25.869               -149.232
 CID3   Fr= 1--       2.817                 -0.201                 -0.771
 RC180  Fr= 1--       0.709                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.04  -0.05   0.12     0.13  -0.14  -0.01    -0.04  -0.04   0.12
     4   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6     0.11   0.07  -0.01    -0.00  -0.00  -0.00    -0.12  -0.07   0.01
     6   1     0.00  -0.00   0.01     0.00   0.00  -0.00     0.01   0.00  -0.00
     7   1    -0.00   0.00   0.00    -0.00  -0.01   0.00     0.00  -0.00   0.00
     8   1    -0.02  -0.02  -0.01     0.01   0.01   0.01    -0.00   0.00  -0.00
     9   1    -0.17   0.20  -0.38    -0.17   0.20  -0.38    -0.17   0.20  -0.38
    10   1     0.39   0.11  -0.31    -0.25  -0.08   0.21     0.39   0.11  -0.31
    11   1     0.02  -0.04  -0.01    -0.36   0.68   0.21     0.02  -0.05  -0.01
    12   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    15   1     0.01   0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.00   0.00
    16   1    -0.37  -0.10   0.31    -0.00  -0.00   0.00     0.36   0.10  -0.31
    17   1    -0.32  -0.30  -0.23     0.00   0.01   0.00     0.32   0.30   0.23
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3021.2567              3043.9004              3064.4796
 Red. masses --      1.0344                 1.0604                 1.0829
 Frc consts  --      5.5631                 5.7887                 5.9916
 IR Inten    --     34.4409                25.1851                27.8602
 RamAct Fr= 1--    143.2093               133.3255               118.3523
  Dep-P Fr= 1--      0.0017                 0.0672                 0.1858
  Dep-U Fr= 1--      0.0034                 0.1259                 0.3134
 Alpha2 Fr= 1--      3.1698                 2.5277                 1.6686
 Beta2  Fr= 1--      0.0814                 2.7967                 6.1811
 AlphaG Fr= 1--      0.0003                -0.0037                 0.0016
 Gamma2 Fr= 1--     -0.1089                 1.7830                -3.5460
 Delta2 Fr= 1--     -0.1031                 1.6688                -3.3000
 Raman1 Fr= 1--     572.837                533.302                473.409
 ROA1   Fr= 1--     -13.754                224.571               -446.017
 CID1   Fr= 1--      -0.024                  0.421                 -0.942
 Raman2 Fr= 1--       0.977                 33.561                 74.173
 ROA2   Fr= 1--      -1.789                 29.442                -58.705
 CID2   Fr= 1--      -1.831                  0.877                 -0.791
 Raman3 Fr= 1--       1.955                 67.122                148.346
 ROA3   Fr= 1--     -13.754                224.571               -446.017
 CID3   Fr= 1--      -7.037                  3.346                 -3.007
 RC180  Fr= 1--      -0.993                 -0.748                 -0.373
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00   0.00   0.01     0.01  -0.03  -0.06    -0.00   0.00  -0.01
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.02   0.04   0.01    -0.00   0.00   0.00     0.00   0.00   0.01
     5   6    -0.00   0.00   0.00    -0.00   0.01   0.00     0.04  -0.07  -0.02
     6   1    -0.02   0.03  -0.05     0.24  -0.32   0.56     0.05  -0.06   0.11
     7   1     0.03  -0.05  -0.01    -0.34   0.59   0.17    -0.01   0.01   0.00
     8   1    -0.00  -0.00  -0.00     0.02   0.01   0.01     0.00   0.00   0.00
     9   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    11   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    12   1     0.21  -0.25   0.47     0.01  -0.01   0.03    -0.01   0.01  -0.02
    13   1    -0.37  -0.35  -0.26    -0.05  -0.05  -0.03    -0.03  -0.03  -0.02
    14   1     0.43   0.12  -0.36     0.04   0.01  -0.03     0.03   0.01  -0.03
    15   1     0.01  -0.02  -0.01     0.05  -0.09  -0.03    -0.47   0.83   0.23
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    17   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3081.9008              3083.6193              3085.2309
 Red. masses --      1.1021                 1.1017                 1.1014
 Frc consts  --      6.1675                 6.1721                 6.1769
 IR Inten    --     19.0512                34.0437                55.0940
 RamAct Fr= 1--     41.4461                70.1643               106.3462
  Dep-P Fr= 1--      0.7233                 0.7478                 0.7499
  Dep-U Fr= 1--      0.8394                 0.8557                 0.8571
 Alpha2 Fr= 1--      0.0191                 0.0026                 0.0001
 Beta2  Fr= 1--      5.7983                10.0066                15.1914
 AlphaG Fr= 1--     -0.0006                -0.0000                -0.0000
 Gamma2 Fr= 1--     10.5709                -1.7485                -6.8999
 Delta2 Fr= 1--      9.8048                -1.6284                -6.4202
 Raman1 Fr= 1--     165.784                280.657                425.385
 ROA1   Fr= 1--    1328.562               -219.968               -867.841
 CID1   Fr= 1--       8.014                 -0.784                 -2.040
 Raman2 Fr= 1--      69.580                120.079                182.297
 ROA2   Fr= 1--     175.264                -28.937               -114.237
 CID2   Fr= 1--       2.519                 -0.241                 -0.627
 Raman3 Fr= 1--     139.160                240.158                364.594
 ROA3   Fr= 1--    1328.562               -219.968               -867.841
 CID3   Fr= 1--       9.547                 -0.916                 -2.380
 RC180  Fr= 1--       0.679                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.03  -0.05   0.02    -0.00   0.00  -0.00    -0.03   0.05  -0.02
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.01   0.02  -0.06    -0.08  -0.04  -0.00    -0.00   0.02  -0.06
     5   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   1    -0.17   0.21  -0.41     0.01  -0.02   0.03     0.17  -0.22   0.42
     7   1    -0.25   0.43   0.15     0.00  -0.00  -0.00     0.22  -0.39  -0.13
     8   1     0.00  -0.01   0.00     0.00   0.00  -0.00    -0.00   0.01  -0.00
     9   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1     0.20  -0.25   0.45     0.03  -0.07   0.11     0.22  -0.26   0.47
    13   1     0.14   0.14   0.09     0.47   0.47   0.35     0.12   0.13   0.07
    14   1    -0.27  -0.07   0.20     0.47   0.12  -0.40    -0.30  -0.07   0.23
    15   1    -0.05   0.09   0.02    -0.00   0.01   0.00     0.01  -0.02  -0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   2.01410
 Atom     9 has atomic number  1 and mass   2.01410
 Atom    10 has atomic number  1 and mass   2.01410
 Atom    11 has atomic number  1 and mass   2.01410
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   2.01410
 Atom    17 has atomic number  1 and mass   2.01410
 Molecular mass:    78.13156 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   447.12025 473.20299 499.08896
           X            0.74292  -0.26193  -0.61601
           Y            0.45907  -0.47037   0.75366
           Z            0.48716   0.84270   0.22920
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.19372     0.18304     0.17354
 Rotational constants (GHZ):           4.03637     3.81388     3.61607
 Zero-point vibrational energy     366682.3 (Joules/Mol)
                                   87.63917 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    234.04   295.68   330.49   382.46   433.39
          (Kelvin)            436.27   541.96   546.84   561.30   976.04
                             1073.89  1127.95  1152.44  1195.25  1231.11
                             1334.70  1440.21  1450.63  1547.34  1551.31
                             1560.13  1575.37  1735.85  1771.35  1776.54
                             1893.50  1906.86  1910.54  1927.92  2032.91
                             2120.09  2155.88  2159.80  3122.09  3175.20
                             3230.09  3285.08  3286.90  3288.82  4346.91
                             4379.49  4409.10  4434.17  4436.64  4438.96
 
 Zero-point correction=                           0.139662 (Hartree/Particle)
 Thermal correction to Energy=                    0.147313
 Thermal correction to Enthalpy=                  0.148258
 Thermal correction to Gibbs Free Energy=         0.109602
 Sum of electronic and zero-point Energies=           -197.732195
 Sum of electronic and thermal Energies=              -197.724544
 Sum of electronic and thermal Enthalpies=            -197.723599
 Sum of electronic and thermal Free Energies=         -197.762255
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   92.441             29.041             81.357
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.982
 Rotational               0.889              2.981             26.160
 Vibrational             90.663             23.079             16.215
 Vibration     1          0.623              1.888              2.519
 Vibration     2          0.640              1.832              2.083
 Vibration     3          0.652              1.796              1.881
 Vibration     4          0.672              1.736              1.623
 Vibration     5          0.693              1.671              1.410
 Vibration     6          0.695              1.668              1.399
 Vibration     7          0.747              1.520              1.052
 Vibration     8          0.750              1.513              1.039
 Vibration     9          0.758              1.491              1.000
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.385918D-50        -50.413505       -116.081384
 Total V=0       0.670591D+14         13.826458         31.836595
 Vib (Bot)       0.122217D-62        -62.912869       -144.862234
 Vib (Bot)    1  0.124179D+01          0.094050          0.216558
 Vib (Bot)    2  0.968178D+00         -0.014045         -0.032339
 Vib (Bot)    3  0.857560D+00         -0.066735         -0.153664
 Vib (Bot)    4  0.728577D+00         -0.137525         -0.316662
 Vib (Bot)    5  0.630919D+00         -0.200026         -0.460578
 Vib (Bot)    6  0.626042D+00         -0.203397         -0.468338
 Vib (Bot)    7  0.481102D+00         -0.317763         -0.731675
 Vib (Bot)    8  0.475687D+00         -0.322679         -0.742996
 Vib (Bot)    9  0.460151D+00         -0.337099         -0.776200
 Vib (V=0)       0.212370D+02          1.327093          3.055746
 Vib (V=0)    1  0.183868D+01          0.264505          0.609046
 Vib (V=0)    2  0.158966D+01          0.201305          0.463523
 Vib (V=0)    3  0.149268D+01          0.173966          0.400572
 Vib (V=0)    4  0.138364D+01          0.141024          0.324720
 Vib (V=0)    5  0.130502D+01          0.115618          0.266219
 Vib (V=0)    6  0.130120D+01          0.114346          0.263290
 Vib (V=0)    7  0.119387D+01          0.076958          0.177202
 Vib (V=0)    8  0.119013D+01          0.075594          0.174062
 Vib (V=0)    9  0.117951D+01          0.071703          0.165102
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.271452D+08          7.433694         17.116712
 Rotational      0.116324D+06          5.065670         11.664137
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   333333                            2222 22                          111 11111  111 1111 11                                         
   000000                            2222 21                          544 43333  222 0000 00  9  8887 7  6         333 33 222 1      
   888642                            8884 07                          097 14221  330 9877 00  2  5308 4  7         987 00 630 6      
   542441                            6535 70                          184 30856  516 5485 81  8  6114 6  8         007 31 606 3      
 
   XXXXXX                            XXXX XX                          XXX XXXXX  XXX XXXX XX  X  XXXX X             X                
   XXXXXX                            XXXX XX                          XX  X  XX   XX  X                                              
   XXXXXX                            XXXX XX                          X                                                              
   XXXXXX                            XX X XX                                                                                         
   XXXXXX                            XX X XX                                                                                         
   XXXXXX                            XX    X                                                                                         
   XXXXXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX XXX                            X                                                                                               
   XX X X                                                                                                                            
   XX   X                                                                                                                            
   XX   X                                                                                                                            
   X    X                                                                                                                            
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
   X                                                                                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000016848   -0.000037164    0.000026376
      2        6           0.000001358    0.000007517    0.000003690
      3        6           0.000004725    0.000008246   -0.000015373
      4        6          -0.000008279    0.000000156    0.000003444
      5        6          -0.000002128   -0.000001408    0.000000971
      6        1           0.000000174    0.000004260   -0.000004700
      7        1          -0.000009109    0.000004069    0.000001894
      8        1           0.000005527    0.000000824   -0.000002879
      9        1          -0.000001352    0.000001441   -0.000000360
     10        1           0.000003279   -0.000001285    0.000003625
     11        1          -0.000002284   -0.000001459   -0.000000562
     12        1           0.000001766   -0.000001317   -0.000002862
     13        1           0.000003678    0.000001538   -0.000001146
     14        1          -0.000008347    0.000008371   -0.000000096
     15        1          -0.000000343    0.000000304   -0.000001242
     16        1          -0.000001587    0.000006311   -0.000006905
     17        1          -0.000003928   -0.000000406   -0.000003876
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000037164 RMS     0.000008117
 Z-matrix is all fixed cartesians, so copy forces.
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.674778D+02 -0.714449D-02 -0.253920D-01
      2  -0.714449D-02  0.674823D+02 -0.263301D-01
      3  -0.253920D-01 -0.263301D-01  0.674886D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.915341D-02  0.540470D-01 -0.428984D-01
      2  -0.850752D-01 -0.235489D-01 -0.902032D-02
      3   0.407996D-01 -0.667669D-01  0.156261D-01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.602410D+00  0.327805D-01  0.232483D+01
      2   0.293848D+01 -0.182208D+01 -0.832206D+00
      3  -0.233607D+01  0.178930D+01 -0.149263D+01
      4  -0.341687D-01  0.288600D+01  0.302067D+01
      5   0.223781D+01  0.304159D+01 -0.242288D+01
      6   0.304058D+01 -0.954377D+00  0.171446D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.111435D+01  0.562106D-01  0.404112D+01  0.404434D-01  0.510550D+01
      2   0.562106D-01  0.508585D+01  0.545056D+01  0.510550D+01 -0.316203D+01
      3   0.404112D+01  0.545056D+01 -0.405354D+01  0.544628D+01 -0.143724D+01
                 6             7             8             9            10 
      1   0.544628D+01  0.404321D+01  0.543057D+01 -0.400482D+01 -0.862404D+00
      2  -0.143724D+01  0.543057D+01 -0.145260D+01  0.306450D+01 -0.633661D-01
      3   0.303502D+01 -0.400482D+01  0.306450D+01 -0.253322D+01 -0.274489D+01
                11            12            13            14            15 
      1  -0.633661D-01 -0.274489D+01  0.252779D+00 -0.482239D+01 -0.415138D+01
      2  -0.372144D+01 -0.415224D+01 -0.482239D+01  0.148794D+01  0.201158D+01
      3  -0.415224D+01  0.344724D+01 -0.415138D+01  0.201158D+01 -0.200909D+01
                16            17            18            19            20 
      1  -0.356958D+01 -0.411509D+01  0.235086D+01  0.240337D+01  0.384298D+00
      2  -0.411509D+01  0.120073D+01 -0.232832D+01  0.384298D+00 -0.406609D+01
      3   0.235086D+01 -0.232832D+01  0.336438D+01 -0.258871D+01 -0.431797D+01
                21            22            23            24            25 
      1  -0.258871D+01 -0.508023D+00 -0.320521D+01 -0.434558D+01 -0.323699D+01
      2  -0.431797D+01 -0.320521D+01  0.384640D+01  0.135946D+01 -0.434564D+01
      3   0.268534D+01 -0.434558D+01  0.135946D+01 -0.233548D+01  0.356802D+01
                26            27            28            29            30 
      1  -0.434564D+01  0.356802D+01  0.212746D+01 -0.981890D+00 -0.315144D+01
      2   0.768708D+00 -0.146741D+01 -0.981890D+00 -0.432692D+01 -0.411354D+01
      3  -0.146741D+01  0.312627D+01 -0.315144D+01 -0.411354D+01  0.290976D+01
                31            32            33            34            35 
      1   0.250105D+00 -0.370965D+01 -0.413325D+01 -0.275673D+01 -0.409658D+01
      2  -0.370965D+01  0.670813D+00  0.104614D+01 -0.409658D+01  0.146158D+01
      3  -0.413325D+01  0.104614D+01 -0.223329D+01  0.356093D+01 -0.346851D+01
                36            37            38            39            40 
      1   0.356093D+01 -0.427187D+00  0.552220D+00 -0.396465D+01 -0.587374D-01
      2  -0.346851D+01  0.552220D+00 -0.353739D+01 -0.419027D+01 -0.405628D+01
      3   0.897035D+00 -0.396465D+01 -0.419027D+01  0.340640D+01 -0.420596D+01
                41            42            43            44            45 
      1  -0.405628D+01 -0.420596D+01 -0.277273D+01 -0.419114D+01  0.286384D+01
      2   0.352473D+01  0.742515D-01 -0.419114D+01  0.130357D+01 -0.216759D+01
      3   0.742515D-01 -0.272882D+01  0.286384D+01 -0.216759D+01  0.168264D+00
                46            47            48            49            50 
      1  -0.714110D+00  0.504782D+00 -0.743584D+00  0.679567D+00  0.289667D+00
      2   0.504782D+00 -0.480093D+00  0.104414D+01  0.289667D+00  0.194652D+01
      3  -0.743584D+00  0.104414D+01 -0.220437D+01  0.395104D+00 -0.220914D+01
                51            52            53            54            55 
      1   0.395104D+00 -0.101818D+01  0.446907D+00 -0.391424D+00  0.344398D+01
      2  -0.220914D+01  0.446907D+00 -0.208931D+01  0.263700D+01 -0.193351D+01
      3   0.280838D+01 -0.391424D+00  0.263700D+01 -0.735634D+01 -0.108540D+01
                56            57            58            59            60 
      1  -0.193351D+01 -0.108540D+01 -0.321888D+01  0.294271D+01  0.178934D+01
      2   0.218839D+01  0.108896D+01  0.294271D+01 -0.465082D+01 -0.178699D+01
      3   0.108896D+01  0.857348D+00  0.178934D+01 -0.178699D+01 -0.187912D+01
                61            62            63            64            65 
      1  -0.719332D+00  0.102775D+01  0.989038D+00  0.526725D+01  0.251551D+01
      2   0.102775D+01 -0.117005D+01 -0.980246D+00  0.251551D+01  0.248975D+01
      3   0.989038D+00 -0.980246D+00 -0.182621D+01  0.884075D+00  0.757871D+00
                66            67            68            69            70 
      1   0.884075D+00  0.307615D+01  0.297356D+01  0.701766D+00  0.239076D+01
      2   0.757871D+00  0.297356D+01  0.327979D+01  0.399485D+00  0.139766D+01
      3   0.817393D+00  0.701766D+00  0.399485D+00  0.121163D+01  0.866049D+00
                71            72            73            74            75 
      1   0.139766D+01  0.866049D+00 -0.249879D+01  0.304857D+00 -0.175467D+01
      2   0.123531D+01  0.105346D+01  0.304857D+00 -0.269114D+00  0.685947D+00
      3   0.105346D+01  0.906422D+00 -0.175467D+01  0.685947D+00 -0.232103D+01
                76            77            78            79            80 
      1   0.127757D+01 -0.379990D+00  0.136987D+01 -0.217153D+01  0.620192D+00
      2  -0.379990D+00  0.805523D+00 -0.128634D+01  0.620192D+00 -0.145182D+01
      3   0.136987D+01 -0.128634D+01  0.231592D+01 -0.300748D+01  0.910221D+00
                81            82            83            84            85 
      1  -0.300748D+01 -0.636509D+01 -0.198870D+01  0.197870D+01 -0.126461D+01
      2   0.910221D+00 -0.198870D+01 -0.138421D+01  0.883222D+00 -0.116023D+01
      3  -0.663226D+01  0.197870D+01  0.883222D+00 -0.193797D+01  0.826026D+00
                86            87            88            89            90 
      1  -0.116023D+01  0.826026D+00  0.349134D+01  0.153677D+01 -0.218525D+01
      2  -0.167868D+01  0.495180D+00  0.153677D+01  0.132935D+01 -0.663423D+00
      3   0.495180D+00 -0.331712D+00 -0.218525D+01 -0.663423D+00  0.196935D+01
                91            92            93            94            95 
      1   0.104940D+01 -0.136425D+01 -0.251972D+00 -0.142409D+01  0.120855D+01
      2  -0.136425D+01  0.296680D+01  0.119427D+01  0.120855D+01 -0.773051D+01
      3  -0.251972D+00  0.119427D+01  0.728764D+00  0.589223D+00 -0.223093D+01
                96            97            98            99           100 
      1   0.589223D+00 -0.167987D+00  0.622251D+00 -0.428420D-02 -0.217499D+01
      2  -0.223093D+01  0.622251D+00 -0.176653D+01 -0.146087D+01  0.150321D+01
      3  -0.157744D+01 -0.428420D-02 -0.146087D+01 -0.161373D+01 -0.104523D+01
               101           102           103           104           105 
      1   0.150321D+01 -0.104523D+01  0.112168D+01 -0.106546D+01  0.110534D+01
      2  -0.107852D+01  0.119077D+01 -0.106546D+01  0.322737D+01 -0.185496D+01
      3   0.119077D+01 -0.158934D+01  0.110534D+01 -0.185496D+01  0.185622D+01
               106           107           108           109           110 
      1  -0.185302D+01  0.182658D+01 -0.199298D+01  0.219545D+01  0.187739D+01
      2   0.182658D+01 -0.334880D+01  0.265299D+01  0.187739D+01  0.352687D+01
      3  -0.199298D+01  0.265299D+01 -0.424584D+01  0.136786D+01  0.162516D+01
               111           112           113           114           115 
      1   0.136786D+01  0.145307D+01  0.185323D+01  0.101897D+01  0.126323D+01
      2   0.162516D+01  0.185323D+01  0.511878D+01  0.188484D+01  0.104680D+01
      3   0.130739D+01  0.101897D+01  0.188484D+01  0.179598D+01  0.613569D+00
               116           117           118           119           120 
      1   0.104680D+01  0.613569D+00 -0.570197D+01  0.622910D+00  0.306906D+01
      2   0.221790D+01  0.219243D+01  0.622910D+00 -0.926438D+00  0.467375D-01
      3   0.219243D+01  0.213852D+01  0.306906D+01  0.467375D-01 -0.282330D+01
               121           122           123           124           125 
      1  -0.832922D+00 -0.447403D+00  0.748562D+00  0.327804D+01 -0.283309D-01
      2  -0.447403D+00 -0.250030D+00  0.515709D+00 -0.283309D-01  0.956240D+00
      3   0.748562D+00  0.515709D+00 -0.391290D+00 -0.293309D+01  0.649968D+00
               126           127           128           129           130 
      1  -0.293309D+01  0.258587D+01 -0.228450D+01  0.531202D+00 -0.238572D+01
      2   0.649968D+00 -0.228450D+01  0.295793D+01  0.167504D+00  0.310304D+01
      3   0.347068D+01  0.531202D+00  0.167504D+00  0.499682D+00  0.136218D+00
               131           132           133           134           135 
      1   0.310304D+01  0.136218D+00 -0.390661D+00  0.835116D+00  0.248164D+00
      2  -0.694764D+01  0.372648D+00  0.835116D+00 -0.125123D+01 -0.651211D+00
      3   0.372648D+00 -0.117294D+01  0.248164D+00 -0.651211D+00 -0.357498D+00
               136           137           138           139           140 
      1  -0.327325D+01 -0.995028D+00  0.272798D+01 -0.672491D+00 -0.475164D+00
      2  -0.995028D+00 -0.116721D+01  0.150451D+01 -0.475164D+00 -0.143224D+01
      3   0.272798D+01  0.150451D+01 -0.400009D+01  0.907860D+00  0.125632D+01
               141           142           143           144           145 
      1   0.907860D+00  0.213834D+01  0.941840D+00 -0.232571D+01  0.405936D+01
      2   0.125632D+01  0.941840D+00  0.111370D+01 -0.122660D+01  0.128986D+01
      3  -0.936395D+00 -0.232571D+01 -0.122660D+01  0.515646D+01  0.273054D+01
               146           147           148           149           150 
      1   0.128986D+01  0.273054D+01  0.221410D+01  0.184552D+01  0.180162D+01
      2   0.174181D+01  0.113437D+01  0.184552D+01  0.194408D+01  0.138999D+01
      3   0.113437D+01  0.227034D+01  0.180162D+01  0.138999D+01  0.257242D+01
               151           152           153 
      1   0.205183D+01  0.104434D+01  0.178456D+01
      2   0.104434D+01  0.943252D+00  0.125361D+01
      3   0.178456D+01  0.125361D+01  0.336772D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.869231D-02  0.866114D-02  0.846387D-02  0.131183D-01 -0.150686D-01
      2   0.193891D-01  0.999499D-02  0.499850D+01 -0.128088D-01 -0.296618D-01
      3  -0.127156D-02 -0.502296D+01  0.221664D-02  0.500257D+01  0.265211D-02
                 6             7             8             9            10 
      1  -0.501001D+01  0.479375D-02  0.499928D+01 -0.377006D-01  0.108752D+01
      2  -0.318029D-02 -0.499979D+01 -0.917257D-02  0.169435D-01 -0.688175D+01
      3   0.199370D-01  0.473572D-02  0.209881D-01  0.903616D-02 -0.985027D+00
                11            12            13            14            15 
      1   0.668972D+01  0.366607D+01  0.834585D+01 -0.184121D+01 -0.434149D+01
      2  -0.607044D+01  0.349695D+01 -0.563512D+01 -0.270298D+01 -0.773688D+01
      3   0.414843D+01  0.498835D+01  0.101010D+02 -0.312934D+01 -0.565605D+01
                16            17            18            19            20 
      1   0.423930D+01  0.724909D+00  0.775531D+00 -0.324703D+01 -0.203416D+01
      2  -0.349315D+01 -0.831560D+01  0.940271D+01  0.638202D+01  0.621027D+01
      3   0.451200D+01 -0.410417D+01  0.407964D+01 -0.405080D+01 -0.734122D+01
                21            22            23            24            25 
      1   0.731098D+01 -0.308517D+01 -0.291404D+01 -0.538745D+01  0.875229D+01
      2  -0.366339D+01  0.519412D+01 -0.424409D+01 -0.158415D+01 -0.952014D+01
      3  -0.295820D+01 -0.930480D+00  0.994946D+01  0.733205D+01 -0.194190D+01
                26            27            28            29            30 
      1   0.228841D+00  0.601766D+01  0.437943D+01  0.458900D+01 -0.715771D+01
      2  -0.301303D+01 -0.204810D+01  0.117889D+01  0.461330D+01  0.512523D+00
      3   0.630709D+01 -0.574316D+01  0.427036D+01 -0.859283D+01 -0.898513D+01
                31            32            33            34            35 
      1   0.499606D+01 -0.231723D+01  0.322483D+01 -0.845905D+01  0.974741D+01
      2   0.381865D+01  0.760502D+00  0.456140D+01 -0.415533D+01  0.593235D+01
      3  -0.157537D+01 -0.697366D+01 -0.576078D+01 -0.817182D+01 -0.525326D+01
                36            37            38            39            40 
      1  -0.189568D+01 -0.234935D+01 -0.911271D+01 -0.386258D+01 -0.103290D+02
      2  -0.185462D+01 -0.597603D+00 -0.458489D+01  0.117211D+02 -0.333845D+01
      3   0.250326D+01  0.720963D+00 -0.311710D+00  0.693126D+01  0.458245D+01
                41            42            43            44            45 
      1   0.698972D+01 -0.544137D+01 -0.438926D+01  0.133645D+01 -0.478799D+01
      2   0.612334D+01  0.478984D+01  0.502330D+01  0.525542D+01 -0.561757D+01
      3   0.225701D+00  0.421560D+01  0.563787D+01  0.301839D+01 -0.851792D+00
                46            47            48            49            50 
      1  -0.321143D+00  0.764670D+00  0.210743D-01 -0.487834D+00 -0.228522D+01
      2  -0.272862D+01  0.184669D+01 -0.249292D+01  0.273395D+01 -0.249820D+01
      3  -0.141830D+01 -0.106477D+00 -0.152750D+01  0.140982D+01 -0.208073D+01
                51            52            53            54            55 
      1   0.366282D-01 -0.505009D+00  0.413501D+01  0.726772D+00  0.264147D+01
      2   0.443232D+01 -0.516574D+01  0.443351D+01 -0.101280D+02  0.273538D+01
      3   0.296091D+01 -0.232176D+01  0.288808D+01 -0.394080D+01  0.277334D+01
                56            57            58            59            60 
      1  -0.385268D+01 -0.746886D+00 -0.367317D+01  0.697209D+01  0.123797D+00
      2  -0.657064D+00  0.159200D+01 -0.188355D+01  0.964687D+00 -0.179486D+01
      3  -0.581368D+01 -0.196823D+01 -0.262863D+01  0.908028D+01  0.271804D+01
                61            62            63            64            65 
      1  -0.162632D+01  0.296267D+01  0.994794D+00 -0.326967D+01 -0.294754D+01
      2  -0.745113D+00  0.599824D-01 -0.172060D+01  0.645494D+01  0.420184D+01
      3  -0.148172D+01  0.280577D+01  0.158582D+01 -0.359231D+00 -0.475318D+01
                66            67            68            69            70 
      1  -0.255371D+01 -0.340032D+01 -0.319796D+01 -0.304108D+01 -0.170519D+01
      2   0.467749D+01  0.415593D+01  0.393097D+01  0.421043D+01  0.229107D+01
      3  -0.947453D+00 -0.104827D+01 -0.442036D+01 -0.506321D+00 -0.232263D+00
                71            72            73            74            75 
      1  -0.773529D+00 -0.230000D+01 -0.209062D+01  0.209700D+01 -0.336519D+01
      2   0.292231D+01  0.320242D+01 -0.971587D+00 -0.766375D+00  0.288551D+01
      3  -0.191642D+01 -0.122437D+01  0.254877D+01 -0.209933D+01  0.283550D+01
                76            77            78            79            80 
      1   0.148590D+01 -0.304154D+01  0.248598D+01 -0.374955D+01  0.552183D+01
      2   0.396214D+00  0.130843D+01 -0.199702D+01 -0.943001D+00 -0.878120D+00
      3  -0.475676D+00  0.192557D+01 -0.278943D+01  0.264904D+01 -0.387795D+01
                81            82            83            84            85 
      1  -0.760824D+01  0.397855D+01  0.117675D+01 -0.402356D+01  0.187687D+01
      2   0.620141D+01 -0.650137D+01 -0.253210D+01  0.703261D+01 -0.209016D+01
      3   0.463832D+01  0.532515D+01 -0.192866D+01 -0.143806D+01  0.141499D+01
                86            87            88            89            90 
      1   0.132776D+01 -0.185990D+01 -0.342387D+01 -0.350665D-01  0.337754D+01
      2  -0.133183D+01  0.179526D+01  0.375629D+01  0.161269D+01 -0.555426D+01
      3  -0.124822D+01 -0.562887D+00 -0.253405D+01  0.117068D+01  0.182667D+01
                91            92            93            94            95 
      1   0.952173D+00 -0.138276D+01  0.824366D+00 -0.504178D+00  0.452155D+01
      2   0.161910D+01 -0.229636D+01  0.208062D+00 -0.297233D+01  0.376453D+01
      3  -0.397166D+01  0.363198D+01  0.134734D+01  0.669126D+01 -0.976656D+01
                96            97            98            99           100 
      1  -0.277424D+01 -0.670183D+00  0.109929D+01 -0.128663D+01  0.212079D+01
      2   0.172706D+01 -0.124007D+01  0.206907D+01  0.138679D+01  0.923814D+00
      3  -0.325304D+01  0.173011D+01 -0.293812D+01 -0.142128D+01 -0.247779D+01
               101           102           103           104           105 
      1  -0.187450D+01  0.408745D+01 -0.240428D+01  0.322922D+01 -0.576044D+01
      2  -0.164955D+01  0.330707D+01 -0.778372D+00  0.213428D+01 -0.301651D+01
      3  -0.354185D-01 -0.450027D+00  0.242088D+01  0.158423D+01  0.285145D+00
               106           107           108           109           110 
      1   0.364505D+01 -0.288455D+01  0.924048D+01 -0.136544D+01 -0.883878D-01
      2   0.295623D+00 -0.278109D+01  0.560885D+01 -0.305339D+01 -0.209647D+01
      3  -0.240488D+01 -0.933098D+00 -0.860290D+00  0.646896D+01  0.382016D+01
               111           112           113           114           115 
      1  -0.237600D+01 -0.931180D+00  0.218290D+00 -0.406254D+01 -0.506026D+00
      2  -0.283337D+00 -0.264010D+01 -0.252585D+01 -0.134818D+01 -0.262537D+01
      3   0.345265D+01  0.644674D+01  0.620343D+01  0.344543D+01  0.426847D+01
               116           117           118           119           120 
      1  -0.827447D+00 -0.302766D+01 -0.458046D+01 -0.214253D+01  0.471827D+01
      2  -0.208728D+01 -0.125648D+01  0.117976D+01 -0.439369D+00  0.344654D+01
      3   0.304191D+01  0.262510D+01 -0.805532D+01 -0.280960D+01  0.500193D+01
               121           122           123           124           125 
      1  -0.111435D+01 -0.120376D+01 -0.851057D-01  0.445727D+01  0.170986D+01
      2  -0.143723D-01 -0.263508D+00  0.217499D+00 -0.780379D+00 -0.512138D+00
      3  -0.523768D+00 -0.128830D+01  0.137972D+01  0.536101D+01  0.251557D+01
               126           127           128           129           130 
      1  -0.476184D+01 -0.282988D+01  0.494713D+01  0.206244D+01  0.491110D+01
      2  -0.284006D+01 -0.311372D+01  0.345058D+01  0.124072D+01  0.376150D+01
      3  -0.396356D+01 -0.164881D+01 -0.163579D+01 -0.649138D+00  0.253826D+01
               131           132           133           134           135 
      1  -0.999102D+01 -0.385205D+01  0.116512D+01 -0.124902D+01 -0.175946D+01
      2  -0.462667D+01 -0.249387D+01 -0.248335D+00 -0.142146D+01 -0.923547D+00
      3   0.314599D+01 -0.300549D+00  0.117884D+00  0.359920D+00  0.253988D+00
               136           137           138           139           140 
      1   0.756514D+00 -0.190163D+01 -0.142001D+01  0.228944D+00 -0.153529D+01
      2   0.841247D+01  0.215920D+01 -0.436739D+01  0.232509D+01  0.124191D+01
      3   0.395948D+01 -0.479452D+00 -0.291220D+01  0.187053D+01  0.693468D+00
               141           142           143           144           145 
      1  -0.129735D+00 -0.452123D+00  0.276914D+01  0.268663D+01  0.414584D+01
      2  -0.187968D+01 -0.748516D+01 -0.227786D+01  0.567926D+01 -0.507460D+01
      3  -0.145274D+01 -0.319042D+01 -0.500744D+00  0.273787D+01 -0.309034D+01
               146           147           148           149           150 
      1   0.506398D+01  0.280653D+01  0.408847D+01  0.510062D+01  0.213101D+01
      2  -0.141617D+01 -0.568871D+00 -0.302019D+01 -0.200588D+01  0.120527D+00
      3  -0.441067D+01 -0.270514D+01 -0.156414D+01 -0.391274D+01 -0.209239D+01
               151           152           153 
      1   0.321430D+01  0.427532D+01  0.362762D+01
      2  -0.369685D+01 -0.980460D+00  0.462192D+00
      3  -0.200231D+01 -0.260463D+01 -0.225447D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.382843D+01 -0.292597D+01  0.269705D+01 -0.294076D+01 -0.158700D+01
      2  -0.148055D+01  0.310326D+01 -0.124179D+01  0.316928D+01  0.115426D+01
      3  -0.234788D+01 -0.177289D+00 -0.145526D+01 -0.228520D+00  0.432748D+00
      4  -0.292506D+01 -0.266660D+01 -0.766618D+00 -0.270234D+01  0.313435D+01
      5   0.262916D+01 -0.759458D+00 -0.358025D+01 -0.822650D+00 -0.119102D+01
      6  -0.780374D+00 -0.128894D+01 -0.195828D+00 -0.121095D+01 -0.367919D+01
                 6             7             8             9            10 
      1  -0.779983D+00  0.264256D+01 -0.812360D+00 -0.237199D+01 -0.639423D+01
      2  -0.362525D+01 -0.123369D+01 -0.364002D+01  0.346001D+00 -0.385461D+01
      3   0.440523D+01 -0.140888D+01  0.445238D+01  0.202598D+01  0.102488D+02
      4  -0.121150D+01 -0.803047D+00 -0.128343D+01 -0.204364D+00 -0.161911D+01
      5  -0.308139D+00 -0.348310D+01 -0.217271D+00 -0.146524D+01 -0.599666D+01
      6  -0.704029D+00 -0.190963D+00 -0.721411D+00  0.447903D+01 -0.450300D+01
                11            12            13            14            15 
      1  -0.471939D+01 -0.198100D+01 -0.472117D+01 -0.889787D+01 -0.151887D+02
      2  -0.669684D+01  0.379220D+01 -0.564707D+01  0.530052D+01  0.167898D+01
      3   0.114162D+02 -0.181120D+01  0.103682D+02  0.359735D+01  0.135097D+02
      4  -0.135896D+02 -0.106943D+02 -0.148813D+02  0.247822D+01  0.185754D+01
      5  -0.928033D+01  0.640434D+01 -0.103119D+02  0.730908D+01  0.329672D+01
      6   0.446747D+01  0.948844D+01  0.526559D+01 -0.412098D+01 -0.757923D+01
                16            17            18            19            20 
      1  -0.266684D+01 -0.154014D+02  0.147378D+02 -0.923679D+01 -0.984246D+01
      2   0.311415D+01  0.241197D+01 -0.136950D+01  0.274441D+01  0.694764D+01
      3  -0.447308D+00  0.129894D+02 -0.133684D+02  0.649238D+01  0.289482D+01
      4  -0.118648D+02  0.681421D+00 -0.111134D+01 -0.439655D+01  0.141987D+01
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      6   0.756015D+01 -0.761595D+01  0.856981D+01  0.684759D+01  0.116173D+02
                21            22            23            24            25 
      1   0.571695D+01 -0.972040D+01  0.149449D+02  0.990688D+01  0.659415D+01
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      3  -0.152538D+02  0.431099D+01  0.409285D+00  0.206712D+01 -0.150798D+02
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      6   0.108899D+00  0.103796D+02 -0.812349D+01 -0.185578D+01  0.548178D-01
                26            27            28            29            30 
      1   0.107210D+02 -0.572823D+01 -0.335326D+01  0.753911D+01  0.117357D+02
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      6  -0.109305D+01  0.115967D+01 -0.586468D+01 -0.142833D+02  0.480032D+01
                31            32            33            34            35 
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                36            37            38            39            40 
      1  -0.219505D+01  0.301867D+01  0.179791D+01 -0.108939D+02  0.198260D+01
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                41            42            43            44            45 
      1  -0.333808D+01 -0.258826D+01 -0.115903D+02 -0.184309D+01  0.541044D+00
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                46            47            48            49            50 
      1  -0.181812D+01  0.342748D+01 -0.592516D+01  0.286026D+01 -0.634858D+01
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                51            52            53            54            55 
      1   0.996085D+01 -0.433142D+01  0.973447D+01 -0.211308D+02  0.136441D+02
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      6   0.122188D+02 -0.138249D+01  0.120824D+02 -0.163191D+02  0.518537D+01
                56            57            58            59            60 
      1  -0.621091D+01 -0.319414D+01 -0.891142D+01  0.328445D+01  0.160803D+01
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      6  -0.560592D+01 -0.379884D+01 -0.665341D+01  0.125001D+02  0.774866D+01
                61            62            63            64            65 
      1  -0.206733D+01  0.189410D+01 -0.113317D+01  0.235553D+02  0.964213D+01
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      4   0.398149D+01 -0.381738D+01 -0.376538D+01  0.159189D+02  0.140946D+02
      5   0.706592D+01 -0.575892D+01 -0.700664D+01 -0.189961D+01 -0.989456D-01
      6  -0.399992D+01  0.675929D+01  0.336172D+01 -0.173589D+01 -0.284720D+01
                66            67            68            69            70 
      1   0.418514D+01  0.109212D+02  0.546203D+01  0.318405D+01  0.803225D+01
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      5   0.469687D+01 -0.766825D+00 -0.111685D+01  0.369081D+01  0.362476D+01
      6   0.380275D+00 -0.280049D+01 -0.203742D+01  0.342060D+01  0.559814D+00
                71            72            73            74            75 
      1   0.335001D+01  0.152233D+01  0.765232D+01 -0.546459D+00  0.352789D+01
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      3  -0.558916D+01 -0.134984D+01  0.921848D+00 -0.112503D+01  0.581682D+01
      4   0.529861D+01  0.387743D+01  0.147279D+01  0.301131D+01 -0.556873D+00
      5   0.271068D+01  0.456261D+01  0.104791D+02 -0.286811D+01  0.133753D+02
      6   0.240981D+01  0.111616D+01  0.456831D+00  0.250669D+00  0.217953D+01
                76            77            78            79            80 
      1  -0.245110D+01 -0.157138D+01 -0.546460D+00  0.386487D+01 -0.177076D+01
      2   0.336728D+01 -0.974929D+00  0.719120D+01 -0.104547D+02  0.594894D+01
      3  -0.916180D+00  0.254630D+01 -0.664474D+01  0.658988D+01 -0.417818D+01
      4   0.220856D+01 -0.368812D+01  0.284363D+01  0.192697D+00  0.381703D+01
      5  -0.565997D+01  0.339104D+01 -0.677246D+01  0.150156D+02 -0.337931D+01
      6   0.518981D+00 -0.244190D+01  0.358387D+01  0.232010D+01  0.497637D+01
                81            82            83            84            85 
      1  -0.318830D+01  0.269312D+02  0.607223D+01 -0.817550D+01  0.462983D+01
      2  -0.198077D+02 -0.822984D+01  0.127405D+01  0.737676D+00  0.166413D+01
      3   0.229960D+02 -0.187014D+02 -0.734628D+01  0.743783D+01 -0.629395D+01
      4  -0.405302D-01  0.179153D+02  0.110254D+02 -0.609719D+01  0.961362D+01
      5   0.218608D+02 -0.426074D+01 -0.152001D+01  0.764377D+01 -0.137565D+01
      6   0.453546D+01 -0.410488D+01 -0.219741D+01  0.466421D+01 -0.254930D+01
                86            87            88            89            90 
      1   0.997551D+00 -0.200184D+01 -0.117290D+02 -0.214631D+01  0.527750D+01
      2   0.448160D+01 -0.205876D+00  0.244316D+01 -0.161583D+01 -0.328440D+01
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      6  -0.424361D+00  0.325159D+01  0.450399D+01  0.322704D+01 -0.594334D+01
                91            92            93            94            95 
      1  -0.208768D+01  0.841822D+01  0.243568D+01  0.657230D+01 -0.231510D+02
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      3  -0.198180D+01  0.196667D+01 -0.388543D+00 -0.455904D+00 -0.105943D+02
      4  -0.388307D+01  0.427430D+01  0.224320D+00  0.570378D+01  0.435377D+01
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      6   0.242705D+01 -0.624858D+01 -0.449753D+01 -0.328135D+01  0.183924D+02
                96            97            98            99           100 
      1  -0.830312D+01  0.118609D+01 -0.764527D+01 -0.511229D+01  0.475656D+01
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      6   0.114068D+02 -0.187882D+01  0.105651D+02  0.703256D+01 -0.381759D+01
               101           102           103           104           105 
      1  -0.173009D+01  0.109574D+01 -0.109202D+01 -0.571342D+01  0.164533D+01
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      4   0.897020D+01 -0.566082D+01  0.810704D+01 -0.942047D+01  0.713654D+01
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      6   0.496466D+01 -0.559708D+01  0.490188D+01 -0.830627D+01  0.101115D+02
               106           107           108           109           110 
      1   0.210933D+01  0.364123D+01 -0.263254D+01 -0.278166D+01 -0.878102D+01
      2   0.260542D+01 -0.102863D+02  0.306303D+01  0.444311D+01  0.130744D+02
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      4  -0.865688D+01  0.102789D+02 -0.810698D+01  0.938376D+01  0.764522D+01
      5   0.747518D+01 -0.503861D+01  0.962723D+01  0.307915D+01  0.187216D+01
      6  -0.630483D+01  0.118268D+02 -0.160724D+02  0.559970D+01  0.841322D+01
               111           112           113           114           115 
      1  -0.560410D+01 -0.651127D+01 -0.166785D+02 -0.823855D+01 -0.475549D+01
      2   0.424013D+01  0.843293D+01  0.250638D+02  0.796981D+01  0.382751D+01
      3   0.136397D+01 -0.192166D+01 -0.838522D+01  0.268736D+00  0.927986D+00
      4   0.409465D+01  0.727659D+01  0.539826D+01  0.308106D+01  0.421099D+01
      5   0.383397D+01  0.124667D+01  0.160867D+01  0.220606D+00  0.419075D+01
      6   0.663156D+01  0.578643D+01  0.135530D+02  0.112167D+02  0.378256D+01
               116           117           118           119           120 
      1  -0.889076D+01 -0.744042D+01  0.192371D+02  0.396237D+00 -0.763979D+01
      2   0.872729D+01  0.428946D+01 -0.140181D+02 -0.249729D+01  0.101804D+02
      3   0.163472D+00  0.315096D+01 -0.521901D+01  0.210105D+01 -0.254057D+01
      4   0.289646D+01  0.153257D+01 -0.121692D+02  0.643942D+01  0.652324D+01
      5   0.406920D+00  0.124287D+01 -0.163660D+02  0.994652D+00  0.138532D+02
      6   0.123332D+02  0.102341D+02  0.699950D+01 -0.177497D+01 -0.686576D+01
               121           122           123           124           125 
      1   0.271710D+01  0.850404D+00 -0.141360D+01 -0.830156D+01 -0.172078D+01
      2  -0.315265D+01 -0.770217D+00  0.314173D+01  0.104226D+02  0.293591D+01
      3   0.435555D+00 -0.801870D-01 -0.172813D+01 -0.212104D+01 -0.121513D+01
      4   0.367755D+01  0.729330D+00 -0.132635D+01  0.730155D+01 -0.268350D+01
      5  -0.179760D+01 -0.218133D+01  0.150170D+01  0.141044D+02 -0.139934D+01
      6  -0.855270D+00  0.116700D+00  0.305697D+01 -0.649745D+01  0.520721D+01
               126           127           128           129           130 
      1   0.210805D+01  0.508608D+01 -0.212322D+01 -0.257109D+00 -0.243452D+01
      2  -0.911717D+01  0.181391D+01 -0.760781D+01 -0.114025D+01 -0.755327D+01
      3   0.700912D+01 -0.689999D+01  0.973103D+01  0.139735D+01  0.998779D+01
      4  -0.634282D+01 -0.108304D+02  0.131267D+02 -0.508295D+00  0.135922D+02
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      6   0.730054D+01 -0.439706D+01  0.643090D+01 -0.135220D+01  0.623889D+01
               131           132           133           134           135 
      1  -0.627036D+01  0.266665D+01 -0.102993D+01  0.570294D+00 -0.661860D+00
      2   0.240597D+02  0.124961D+01 -0.104262D+01  0.393882D+01  0.164432D+01
      3  -0.177893D+02 -0.391626D+01  0.207255D+01 -0.450911D+01 -0.982464D+00
      4  -0.185591D+02  0.519439D+00  0.210623D+01 -0.243228D+01 -0.188797D+01
      5   0.592107D+01 -0.215000D+01  0.270231D+01 -0.106970D+01 -0.107958D+01
      6  -0.136829D+02  0.630226D+01 -0.590795D+00  0.345376D+01  0.734269D+00
               136           137           138           139           140 
      1  -0.238115D+01 -0.362247D+01  0.919547D+01 -0.265085D+01 -0.384530D+01
      2  -0.430999D+01  0.404906D+00  0.542048D+01 -0.357407D+00  0.242423D+01
      3   0.669114D+01  0.321756D+01 -0.146160D+02  0.300826D+01  0.142107D+01
      4   0.658150D+01  0.455666D+01 -0.409557D+01  0.448710D+01  0.935896D+00
      5  -0.129649D+02 -0.291471D+01  0.114360D+02 -0.208393D+01 -0.208550D+01
      6  -0.531118D+01 -0.667962D+01  0.907692D+01 -0.384967D+01 -0.623462D+01
               141           142           143           144           145 
      1   0.497012D+01  0.728131D+01  0.524432D+01 -0.147348D+02  0.103135D+02
      2  -0.106849D+01  0.286862D+01 -0.472085D+00 -0.990023D+01 -0.127579D+02
      3  -0.390163D+01 -0.101499D+02 -0.477224D+01  0.246351D+02  0.244443D+01
      4  -0.237538D+01 -0.359183D+01 -0.215573D+01  0.413274D+01  0.211580D+01
      5   0.322238D+01  0.103582D+02  0.335701D+01 -0.919743D+01  0.168821D+02
      6   0.822245D+01  0.630065D+01  0.820648D+01 -0.117343D+02  0.329494D+01
               146           147           148           149           150 
      1   0.319915D+01  0.304722D+01  0.438129D+01  0.861986D+00 -0.129859D+01
      2  -0.608079D+01 -0.982110D+01 -0.717694D+01 -0.176741D+01 -0.659712D+01
      3   0.288164D+01  0.677388D+01  0.279565D+01  0.905427D+00  0.789571D+01
      4   0.525289D+01  0.706459D+00  0.498352D+01  0.423912D+01  0.223070D+01
      5   0.585159D+01  0.147562D+02  0.900588D+01  0.663754D+01  0.900254D+01
      6   0.581491D+01  0.341495D+01  0.552479D+01  0.804400D+01  0.584430D+01
               151           152           153 
      1   0.261110D+01 -0.143889D+00 -0.284967D+01
      2  -0.867524D+01 -0.443151D+01 -0.115302D+02
      3   0.606414D+01  0.457540D+01  0.143798D+02
      4   0.438522D+00  0.131377D+01  0.199666D+01
      5   0.128456D+02  0.591915D+01  0.124489D+02
      6   0.354452D+01  0.542169D+01  0.356128D+01
 Leave Link  716 at Thu Jan 27 18:49:21 2022, MaxMem=  5368709120 cpu:               1.9 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.674778D+02 -0.714449D-02 -0.253920D-01
      2  -0.714449D-02  0.674823D+02 -0.263301D-01
      3  -0.253920D-01 -0.263301D-01  0.674886D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.915341D-02  0.540470D-01 -0.428984D-01
      2  -0.850752D-01 -0.235489D-01 -0.902032D-02
      3   0.407996D-01 -0.667669D-01  0.156261D-01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.602410D+00  0.327805D-01  0.232483D+01
      2   0.293848D+01 -0.182208D+01 -0.832206D+00
      3  -0.233607D+01  0.178930D+01 -0.149263D+01
      4  -0.341687D-01  0.288600D+01  0.302067D+01
      5   0.223781D+01  0.304159D+01 -0.242288D+01
      6   0.304058D+01 -0.954377D+00  0.171446D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.111435D+01  0.562106D-01  0.404112D+01  0.404434D-01  0.510550D+01
      2   0.562106D-01  0.508585D+01  0.545056D+01  0.510550D+01 -0.316203D+01
      3   0.404112D+01  0.545056D+01 -0.405354D+01  0.544628D+01 -0.143724D+01
                 6             7             8             9            10 
      1   0.544628D+01  0.404321D+01  0.543057D+01 -0.400482D+01 -0.862404D+00
      2  -0.143724D+01  0.543057D+01 -0.145260D+01  0.306450D+01 -0.633661D-01
      3   0.303502D+01 -0.400482D+01  0.306450D+01 -0.253322D+01 -0.274489D+01
                11            12            13            14            15 
      1  -0.633661D-01 -0.274489D+01  0.252779D+00 -0.482239D+01 -0.415138D+01
      2  -0.372144D+01 -0.415224D+01 -0.482239D+01  0.148794D+01  0.201158D+01
      3  -0.415224D+01  0.344724D+01 -0.415138D+01  0.201158D+01 -0.200909D+01
                16            17            18            19            20 
      1  -0.356958D+01 -0.411509D+01  0.235086D+01  0.240337D+01  0.384298D+00
      2  -0.411509D+01  0.120073D+01 -0.232832D+01  0.384298D+00 -0.406609D+01
      3   0.235086D+01 -0.232832D+01  0.336438D+01 -0.258871D+01 -0.431797D+01
                21            22            23            24            25 
      1  -0.258871D+01 -0.508023D+00 -0.320521D+01 -0.434558D+01 -0.323699D+01
      2  -0.431797D+01 -0.320521D+01  0.384640D+01  0.135946D+01 -0.434564D+01
      3   0.268534D+01 -0.434558D+01  0.135946D+01 -0.233548D+01  0.356802D+01
                26            27            28            29            30 
      1  -0.434564D+01  0.356802D+01  0.212746D+01 -0.981890D+00 -0.315144D+01
      2   0.768708D+00 -0.146741D+01 -0.981890D+00 -0.432692D+01 -0.411354D+01
      3  -0.146741D+01  0.312627D+01 -0.315144D+01 -0.411354D+01  0.290976D+01
                31            32            33            34            35 
      1   0.250105D+00 -0.370965D+01 -0.413325D+01 -0.275673D+01 -0.409658D+01
      2  -0.370965D+01  0.670813D+00  0.104614D+01 -0.409658D+01  0.146158D+01
      3  -0.413325D+01  0.104614D+01 -0.223329D+01  0.356093D+01 -0.346851D+01
                36            37            38            39            40 
      1   0.356093D+01 -0.427187D+00  0.552220D+00 -0.396465D+01 -0.587374D-01
      2  -0.346851D+01  0.552220D+00 -0.353739D+01 -0.419027D+01 -0.405628D+01
      3   0.897035D+00 -0.396465D+01 -0.419027D+01  0.340640D+01 -0.420596D+01
                41            42            43            44            45 
      1  -0.405628D+01 -0.420596D+01 -0.277273D+01 -0.419114D+01  0.286384D+01
      2   0.352473D+01  0.742515D-01 -0.419114D+01  0.130357D+01 -0.216759D+01
      3   0.742515D-01 -0.272882D+01  0.286384D+01 -0.216759D+01  0.168264D+00
                46            47            48            49            50 
      1  -0.714110D+00  0.504782D+00 -0.743584D+00  0.679567D+00  0.289667D+00
      2   0.504782D+00 -0.480093D+00  0.104414D+01  0.289667D+00  0.194652D+01
      3  -0.743584D+00  0.104414D+01 -0.220437D+01  0.395104D+00 -0.220914D+01
                51            52            53            54            55 
      1   0.395104D+00 -0.101818D+01  0.446907D+00 -0.391424D+00  0.344398D+01
      2  -0.220914D+01  0.446907D+00 -0.208931D+01  0.263700D+01 -0.193351D+01
      3   0.280838D+01 -0.391424D+00  0.263700D+01 -0.735634D+01 -0.108540D+01
                56            57            58            59            60 
      1  -0.193351D+01 -0.108540D+01 -0.321888D+01  0.294271D+01  0.178934D+01
      2   0.218839D+01  0.108896D+01  0.294271D+01 -0.465082D+01 -0.178699D+01
      3   0.108896D+01  0.857348D+00  0.178934D+01 -0.178699D+01 -0.187912D+01
                61            62            63            64            65 
      1  -0.719332D+00  0.102775D+01  0.989038D+00  0.526725D+01  0.251551D+01
      2   0.102775D+01 -0.117005D+01 -0.980246D+00  0.251551D+01  0.248975D+01
      3   0.989038D+00 -0.980246D+00 -0.182621D+01  0.884075D+00  0.757871D+00
                66            67            68            69            70 
      1   0.884075D+00  0.307615D+01  0.297356D+01  0.701766D+00  0.239076D+01
      2   0.757871D+00  0.297356D+01  0.327979D+01  0.399485D+00  0.139766D+01
      3   0.817393D+00  0.701766D+00  0.399485D+00  0.121163D+01  0.866049D+00
                71            72            73            74            75 
      1   0.139766D+01  0.866049D+00 -0.249879D+01  0.304857D+00 -0.175467D+01
      2   0.123531D+01  0.105346D+01  0.304857D+00 -0.269114D+00  0.685947D+00
      3   0.105346D+01  0.906422D+00 -0.175467D+01  0.685947D+00 -0.232103D+01
                76            77            78            79            80 
      1   0.127757D+01 -0.379990D+00  0.136987D+01 -0.217153D+01  0.620192D+00
      2  -0.379990D+00  0.805523D+00 -0.128634D+01  0.620192D+00 -0.145182D+01
      3   0.136987D+01 -0.128634D+01  0.231592D+01 -0.300748D+01  0.910221D+00
                81            82            83            84            85 
      1  -0.300748D+01 -0.636509D+01 -0.198870D+01  0.197870D+01 -0.126461D+01
      2   0.910221D+00 -0.198870D+01 -0.138421D+01  0.883222D+00 -0.116023D+01
      3  -0.663226D+01  0.197870D+01  0.883222D+00 -0.193797D+01  0.826026D+00
                86            87            88            89            90 
      1  -0.116023D+01  0.826026D+00  0.349134D+01  0.153677D+01 -0.218525D+01
      2  -0.167868D+01  0.495180D+00  0.153677D+01  0.132935D+01 -0.663423D+00
      3   0.495180D+00 -0.331712D+00 -0.218525D+01 -0.663423D+00  0.196935D+01
                91            92            93            94            95 
      1   0.104940D+01 -0.136425D+01 -0.251972D+00 -0.142409D+01  0.120855D+01
      2  -0.136425D+01  0.296680D+01  0.119427D+01  0.120855D+01 -0.773051D+01
      3  -0.251972D+00  0.119427D+01  0.728764D+00  0.589223D+00 -0.223093D+01
                96            97            98            99           100 
      1   0.589223D+00 -0.167987D+00  0.622251D+00 -0.428420D-02 -0.217499D+01
      2  -0.223093D+01  0.622251D+00 -0.176653D+01 -0.146087D+01  0.150321D+01
      3  -0.157744D+01 -0.428420D-02 -0.146087D+01 -0.161373D+01 -0.104523D+01
               101           102           103           104           105 
      1   0.150321D+01 -0.104523D+01  0.112168D+01 -0.106546D+01  0.110534D+01
      2  -0.107852D+01  0.119077D+01 -0.106546D+01  0.322737D+01 -0.185496D+01
      3   0.119077D+01 -0.158934D+01  0.110534D+01 -0.185496D+01  0.185622D+01
               106           107           108           109           110 
      1  -0.185302D+01  0.182658D+01 -0.199298D+01  0.219545D+01  0.187739D+01
      2   0.182658D+01 -0.334880D+01  0.265299D+01  0.187739D+01  0.352687D+01
      3  -0.199298D+01  0.265299D+01 -0.424584D+01  0.136786D+01  0.162516D+01
               111           112           113           114           115 
      1   0.136786D+01  0.145307D+01  0.185323D+01  0.101897D+01  0.126323D+01
      2   0.162516D+01  0.185323D+01  0.511878D+01  0.188484D+01  0.104680D+01
      3   0.130739D+01  0.101897D+01  0.188484D+01  0.179598D+01  0.613569D+00
               116           117           118           119           120 
      1   0.104680D+01  0.613569D+00 -0.570197D+01  0.622910D+00  0.306906D+01
      2   0.221790D+01  0.219243D+01  0.622910D+00 -0.926438D+00  0.467375D-01
      3   0.219243D+01  0.213852D+01  0.306906D+01  0.467375D-01 -0.282330D+01
               121           122           123           124           125 
      1  -0.832922D+00 -0.447403D+00  0.748562D+00  0.327804D+01 -0.283309D-01
      2  -0.447403D+00 -0.250030D+00  0.515709D+00 -0.283309D-01  0.956240D+00
      3   0.748562D+00  0.515709D+00 -0.391290D+00 -0.293309D+01  0.649968D+00
               126           127           128           129           130 
      1  -0.293309D+01  0.258587D+01 -0.228450D+01  0.531202D+00 -0.238572D+01
      2   0.649968D+00 -0.228450D+01  0.295793D+01  0.167504D+00  0.310304D+01
      3   0.347068D+01  0.531202D+00  0.167504D+00  0.499682D+00  0.136218D+00
               131           132           133           134           135 
      1   0.310304D+01  0.136218D+00 -0.390661D+00  0.835116D+00  0.248164D+00
      2  -0.694764D+01  0.372648D+00  0.835116D+00 -0.125123D+01 -0.651211D+00
      3   0.372648D+00 -0.117294D+01  0.248164D+00 -0.651211D+00 -0.357498D+00
               136           137           138           139           140 
      1  -0.327325D+01 -0.995028D+00  0.272798D+01 -0.672491D+00 -0.475164D+00
      2  -0.995028D+00 -0.116721D+01  0.150451D+01 -0.475164D+00 -0.143224D+01
      3   0.272798D+01  0.150451D+01 -0.400009D+01  0.907860D+00  0.125632D+01
               141           142           143           144           145 
      1   0.907860D+00  0.213834D+01  0.941840D+00 -0.232571D+01  0.405936D+01
      2   0.125632D+01  0.941840D+00  0.111370D+01 -0.122660D+01  0.128986D+01
      3  -0.936395D+00 -0.232571D+01 -0.122660D+01  0.515646D+01  0.273054D+01
               146           147           148           149           150 
      1   0.128986D+01  0.273054D+01  0.221410D+01  0.184552D+01  0.180162D+01
      2   0.174181D+01  0.113437D+01  0.184552D+01  0.194408D+01  0.138999D+01
      3   0.113437D+01  0.227034D+01  0.180162D+01  0.138999D+01  0.257242D+01
               151           152           153 
      1   0.205183D+01  0.104434D+01  0.178456D+01
      2   0.104434D+01  0.943252D+00  0.125361D+01
      3   0.178456D+01  0.125361D+01  0.336772D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.869231D-02  0.866114D-02  0.846387D-02  0.131183D-01 -0.150686D-01
      2   0.193891D-01  0.999499D-02  0.499850D+01 -0.128088D-01 -0.296618D-01
      3  -0.127156D-02 -0.502296D+01  0.221664D-02  0.500257D+01  0.265211D-02
                 6             7             8             9            10 
      1  -0.501001D+01  0.479375D-02  0.499928D+01 -0.377006D-01  0.108752D+01
      2  -0.318029D-02 -0.499979D+01 -0.917257D-02  0.169435D-01 -0.688175D+01
      3   0.199370D-01  0.473572D-02  0.209881D-01  0.903616D-02 -0.985027D+00
                11            12            13            14            15 
      1   0.668972D+01  0.366607D+01  0.834585D+01 -0.184121D+01 -0.434149D+01
      2  -0.607044D+01  0.349695D+01 -0.563512D+01 -0.270298D+01 -0.773688D+01
      3   0.414843D+01  0.498835D+01  0.101010D+02 -0.312934D+01 -0.565605D+01
                16            17            18            19            20 
      1   0.423930D+01  0.724909D+00  0.775531D+00 -0.324703D+01 -0.203416D+01
      2  -0.349315D+01 -0.831560D+01  0.940271D+01  0.638202D+01  0.621027D+01
      3   0.451200D+01 -0.410417D+01  0.407964D+01 -0.405080D+01 -0.734122D+01
                21            22            23            24            25 
      1   0.731098D+01 -0.308517D+01 -0.291404D+01 -0.538745D+01  0.875229D+01
      2  -0.366339D+01  0.519412D+01 -0.424409D+01 -0.158415D+01 -0.952014D+01
      3  -0.295820D+01 -0.930480D+00  0.994946D+01  0.733205D+01 -0.194190D+01
                26            27            28            29            30 
      1   0.228841D+00  0.601766D+01  0.437943D+01  0.458900D+01 -0.715771D+01
      2  -0.301303D+01 -0.204810D+01  0.117889D+01  0.461330D+01  0.512523D+00
      3   0.630709D+01 -0.574316D+01  0.427036D+01 -0.859283D+01 -0.898513D+01
                31            32            33            34            35 
      1   0.499606D+01 -0.231723D+01  0.322483D+01 -0.845905D+01  0.974741D+01
      2   0.381865D+01  0.760502D+00  0.456140D+01 -0.415533D+01  0.593235D+01
      3  -0.157537D+01 -0.697366D+01 -0.576078D+01 -0.817182D+01 -0.525326D+01
                36            37            38            39            40 
      1  -0.189568D+01 -0.234935D+01 -0.911271D+01 -0.386258D+01 -0.103290D+02
      2  -0.185462D+01 -0.597603D+00 -0.458489D+01  0.117211D+02 -0.333845D+01
      3   0.250326D+01  0.720963D+00 -0.311710D+00  0.693126D+01  0.458245D+01
                41            42            43            44            45 
      1   0.698972D+01 -0.544137D+01 -0.438926D+01  0.133645D+01 -0.478799D+01
      2   0.612334D+01  0.478984D+01  0.502330D+01  0.525542D+01 -0.561757D+01
      3   0.225701D+00  0.421560D+01  0.563787D+01  0.301839D+01 -0.851792D+00
                46            47            48            49            50 
      1  -0.321143D+00  0.764670D+00  0.210743D-01 -0.487834D+00 -0.228522D+01
      2  -0.272862D+01  0.184669D+01 -0.249292D+01  0.273395D+01 -0.249820D+01
      3  -0.141830D+01 -0.106477D+00 -0.152750D+01  0.140982D+01 -0.208073D+01
                51            52            53            54            55 
      1   0.366282D-01 -0.505009D+00  0.413501D+01  0.726772D+00  0.264147D+01
      2   0.443232D+01 -0.516574D+01  0.443351D+01 -0.101280D+02  0.273538D+01
      3   0.296091D+01 -0.232176D+01  0.288808D+01 -0.394080D+01  0.277334D+01
                56            57            58            59            60 
      1  -0.385268D+01 -0.746886D+00 -0.367317D+01  0.697209D+01  0.123797D+00
      2  -0.657064D+00  0.159200D+01 -0.188355D+01  0.964687D+00 -0.179486D+01
      3  -0.581368D+01 -0.196823D+01 -0.262863D+01  0.908028D+01  0.271804D+01
                61            62            63            64            65 
      1  -0.162632D+01  0.296267D+01  0.994794D+00 -0.326967D+01 -0.294754D+01
      2  -0.745113D+00  0.599824D-01 -0.172060D+01  0.645494D+01  0.420184D+01
      3  -0.148172D+01  0.280577D+01  0.158582D+01 -0.359231D+00 -0.475318D+01
                66            67            68            69            70 
      1  -0.255371D+01 -0.340032D+01 -0.319796D+01 -0.304108D+01 -0.170519D+01
      2   0.467749D+01  0.415593D+01  0.393097D+01  0.421043D+01  0.229107D+01
      3  -0.947453D+00 -0.104827D+01 -0.442036D+01 -0.506321D+00 -0.232263D+00
                71            72            73            74            75 
      1  -0.773529D+00 -0.230000D+01 -0.209062D+01  0.209700D+01 -0.336519D+01
      2   0.292231D+01  0.320242D+01 -0.971587D+00 -0.766375D+00  0.288551D+01
      3  -0.191642D+01 -0.122437D+01  0.254877D+01 -0.209933D+01  0.283550D+01
                76            77            78            79            80 
      1   0.148590D+01 -0.304154D+01  0.248598D+01 -0.374955D+01  0.552183D+01
      2   0.396214D+00  0.130843D+01 -0.199702D+01 -0.943001D+00 -0.878120D+00
      3  -0.475676D+00  0.192557D+01 -0.278943D+01  0.264904D+01 -0.387795D+01
                81            82            83            84            85 
      1  -0.760824D+01  0.397855D+01  0.117675D+01 -0.402356D+01  0.187687D+01
      2   0.620141D+01 -0.650137D+01 -0.253210D+01  0.703261D+01 -0.209016D+01
      3   0.463832D+01  0.532515D+01 -0.192866D+01 -0.143806D+01  0.141499D+01
                86            87            88            89            90 
      1   0.132776D+01 -0.185990D+01 -0.342387D+01 -0.350665D-01  0.337754D+01
      2  -0.133183D+01  0.179526D+01  0.375629D+01  0.161269D+01 -0.555426D+01
      3  -0.124822D+01 -0.562887D+00 -0.253405D+01  0.117068D+01  0.182667D+01
                91            92            93            94            95 
      1   0.952173D+00 -0.138276D+01  0.824366D+00 -0.504178D+00  0.452155D+01
      2   0.161910D+01 -0.229636D+01  0.208062D+00 -0.297233D+01  0.376453D+01
      3  -0.397166D+01  0.363198D+01  0.134734D+01  0.669126D+01 -0.976656D+01
                96            97            98            99           100 
      1  -0.277424D+01 -0.670183D+00  0.109929D+01 -0.128663D+01  0.212079D+01
      2   0.172706D+01 -0.124007D+01  0.206907D+01  0.138679D+01  0.923814D+00
      3  -0.325304D+01  0.173011D+01 -0.293812D+01 -0.142128D+01 -0.247779D+01
               101           102           103           104           105 
      1  -0.187450D+01  0.408745D+01 -0.240428D+01  0.322922D+01 -0.576044D+01
      2  -0.164955D+01  0.330707D+01 -0.778372D+00  0.213428D+01 -0.301651D+01
      3  -0.354185D-01 -0.450027D+00  0.242088D+01  0.158423D+01  0.285145D+00
               106           107           108           109           110 
      1   0.364505D+01 -0.288455D+01  0.924048D+01 -0.136544D+01 -0.883878D-01
      2   0.295623D+00 -0.278109D+01  0.560885D+01 -0.305339D+01 -0.209647D+01
      3  -0.240488D+01 -0.933098D+00 -0.860290D+00  0.646896D+01  0.382016D+01
               111           112           113           114           115 
      1  -0.237600D+01 -0.931180D+00  0.218290D+00 -0.406254D+01 -0.506026D+00
      2  -0.283337D+00 -0.264010D+01 -0.252585D+01 -0.134818D+01 -0.262537D+01
      3   0.345265D+01  0.644674D+01  0.620343D+01  0.344543D+01  0.426847D+01
               116           117           118           119           120 
      1  -0.827447D+00 -0.302766D+01 -0.458046D+01 -0.214253D+01  0.471827D+01
      2  -0.208728D+01 -0.125648D+01  0.117976D+01 -0.439369D+00  0.344654D+01
      3   0.304191D+01  0.262510D+01 -0.805532D+01 -0.280960D+01  0.500193D+01
               121           122           123           124           125 
      1  -0.111435D+01 -0.120376D+01 -0.851057D-01  0.445727D+01  0.170986D+01
      2  -0.143723D-01 -0.263508D+00  0.217499D+00 -0.780379D+00 -0.512138D+00
      3  -0.523768D+00 -0.128830D+01  0.137972D+01  0.536101D+01  0.251557D+01
               126           127           128           129           130 
      1  -0.476184D+01 -0.282988D+01  0.494713D+01  0.206244D+01  0.491110D+01
      2  -0.284006D+01 -0.311372D+01  0.345058D+01  0.124072D+01  0.376150D+01
      3  -0.396356D+01 -0.164881D+01 -0.163579D+01 -0.649138D+00  0.253826D+01
               131           132           133           134           135 
      1  -0.999102D+01 -0.385205D+01  0.116512D+01 -0.124902D+01 -0.175946D+01
      2  -0.462667D+01 -0.249387D+01 -0.248335D+00 -0.142146D+01 -0.923547D+00
      3   0.314599D+01 -0.300549D+00  0.117884D+00  0.359920D+00  0.253988D+00
               136           137           138           139           140 
      1   0.756514D+00 -0.190163D+01 -0.142001D+01  0.228944D+00 -0.153529D+01
      2   0.841247D+01  0.215920D+01 -0.436739D+01  0.232509D+01  0.124191D+01
      3   0.395948D+01 -0.479452D+00 -0.291220D+01  0.187053D+01  0.693468D+00
               141           142           143           144           145 
      1  -0.129735D+00 -0.452123D+00  0.276914D+01  0.268663D+01  0.414584D+01
      2  -0.187968D+01 -0.748516D+01 -0.227786D+01  0.567926D+01 -0.507460D+01
      3  -0.145274D+01 -0.319042D+01 -0.500744D+00  0.273787D+01 -0.309034D+01
               146           147           148           149           150 
      1   0.506398D+01  0.280653D+01  0.408847D+01  0.510062D+01  0.213101D+01
      2  -0.141617D+01 -0.568871D+00 -0.302019D+01 -0.200588D+01  0.120527D+00
      3  -0.441067D+01 -0.270514D+01 -0.156414D+01 -0.391274D+01 -0.209239D+01
               151           152           153 
      1   0.321430D+01  0.427532D+01  0.362762D+01
      2  -0.369685D+01 -0.980460D+00  0.462192D+00
      3  -0.200231D+01 -0.260463D+01 -0.225447D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.382843D+01 -0.292597D+01  0.269705D+01 -0.294076D+01 -0.158700D+01
      2  -0.148055D+01  0.310326D+01 -0.124179D+01  0.316928D+01  0.115426D+01
      3  -0.234788D+01 -0.177289D+00 -0.145526D+01 -0.228520D+00  0.432748D+00
      4  -0.292506D+01 -0.266660D+01 -0.766618D+00 -0.270234D+01  0.313435D+01
      5   0.262916D+01 -0.759458D+00 -0.358025D+01 -0.822650D+00 -0.119102D+01
      6  -0.780374D+00 -0.128894D+01 -0.195828D+00 -0.121095D+01 -0.367919D+01
                 6             7             8             9            10 
      1  -0.779983D+00  0.264256D+01 -0.812360D+00 -0.237199D+01 -0.639423D+01
      2  -0.362525D+01 -0.123369D+01 -0.364002D+01  0.346001D+00 -0.385461D+01
      3   0.440523D+01 -0.140888D+01  0.445238D+01  0.202598D+01  0.102488D+02
      4  -0.121150D+01 -0.803047D+00 -0.128343D+01 -0.204364D+00 -0.161911D+01
      5  -0.308139D+00 -0.348310D+01 -0.217271D+00 -0.146524D+01 -0.599666D+01
      6  -0.704029D+00 -0.190963D+00 -0.721411D+00  0.447903D+01 -0.450300D+01
                11            12            13            14            15 
      1  -0.471939D+01 -0.198100D+01 -0.472117D+01 -0.889787D+01 -0.151887D+02
      2  -0.669684D+01  0.379220D+01 -0.564707D+01  0.530052D+01  0.167898D+01
      3   0.114162D+02 -0.181120D+01  0.103682D+02  0.359735D+01  0.135097D+02
      4  -0.135896D+02 -0.106943D+02 -0.148813D+02  0.247822D+01  0.185754D+01
      5  -0.928033D+01  0.640434D+01 -0.103119D+02  0.730908D+01  0.329672D+01
      6   0.446747D+01  0.948844D+01  0.526559D+01 -0.412098D+01 -0.757923D+01
                16            17            18            19            20 
      1  -0.266684D+01 -0.154014D+02  0.147378D+02 -0.923679D+01 -0.984246D+01
      2   0.311415D+01  0.241197D+01 -0.136950D+01  0.274441D+01  0.694764D+01
      3  -0.447308D+00  0.129894D+02 -0.133684D+02  0.649238D+01  0.289482D+01
      4  -0.118648D+02  0.681421D+00 -0.111134D+01 -0.439655D+01  0.141987D+01
      5   0.649699D+01  0.249789D+01 -0.120420D+01  0.549639D+01  0.760254D+01
      6   0.756015D+01 -0.761595D+01  0.856981D+01  0.684759D+01  0.116173D+02
                21            22            23            24            25 
      1   0.571695D+01 -0.972040D+01  0.149449D+02  0.990688D+01  0.659415D+01
      2   0.953688D+01  0.540941D+01 -0.153542D+02 -0.119740D+02  0.848561D+01
      3  -0.152538D+02  0.431099D+01  0.409285D+00  0.206712D+01 -0.150798D+02
      4   0.115897D+02  0.259488D+01  0.364037D+01  0.511122D+01  0.127195D+02
      5  -0.665139D+01  0.797896D+01  0.433324D+01  0.873945D+01 -0.796326D+01
      6   0.108899D+00  0.103796D+02 -0.812349D+01 -0.185578D+01  0.548178D-01
                26            27            28            29            30 
      1   0.107210D+02 -0.572823D+01 -0.335326D+01  0.753911D+01  0.117357D+02
      2  -0.119699D+02  0.123067D+02  0.515822D+01 -0.973739D+01 -0.180733D+02
      3   0.124898D+01 -0.657845D+01 -0.180496D+01  0.219828D+01  0.633761D+01
      4   0.533251D+01  0.523381D+00  0.238203D+01 -0.109824D+01 -0.237082D+01
      5   0.721835D+01 -0.983423D+01  0.708425D+01  0.307980D+01 -0.113790D+02
      6  -0.109305D+01  0.115967D+01 -0.586468D+01 -0.142833D+02  0.480032D+01
                31            32            33            34            35 
      1   0.737364D+01  0.601206D+01  0.643470D+01  0.121672D+02  0.523680D+01
      2  -0.903489D+01 -0.297310D+01 -0.636752D+00 -0.177843D+02 -0.298154D+00
      3   0.166125D+01 -0.303896D+01 -0.579795D+01  0.561708D+01 -0.493865D+01
      4  -0.131397D+00 -0.110690D+02 -0.121481D+02 -0.152309D+01 -0.131087D+02
      5   0.505989D+01 -0.722053D+01  0.851605D+00 -0.115330D+02  0.252973D+01
      6  -0.131142D+02  0.212194D+01 -0.951025D+01  0.559191D+01 -0.105196D+02
                36            37            38            39            40 
      1  -0.219505D+01  0.301867D+01  0.179791D+01 -0.108939D+02  0.198260D+01
      2  -0.289790D+01  0.435314D+01  0.149329D+02  0.271849D+01  0.146089D+02
      3   0.509295D+01 -0.737181D+01 -0.167308D+02  0.817538D+01 -0.165915D+02
      4   0.879932D+01 -0.146818D+01 -0.839988D+01 -0.247193D-01 -0.900401D+01
      5   0.189953D+00 -0.237976D+01 -0.293451D+01 -0.111469D+02 -0.409268D+01
      6   0.305006D+01  0.184046D+01 -0.395695D+01 -0.144499D+02 -0.453226D+01
                41            42            43            44            45 
      1  -0.333808D+01 -0.258826D+01 -0.115903D+02 -0.184309D+01  0.541044D+00
      2  -0.772822D+01  0.425992D+01  0.429450D+01  0.327452D+01  0.383361D+01
      3   0.110663D+02 -0.167167D+01  0.729584D+01 -0.143142D+01 -0.437465D+01
      4   0.101143D+02  0.314441D+01 -0.639072D+00  0.528171D+01 -0.855402D+01
      5  -0.658166D+01 -0.132032D+02 -0.959432D+01 -0.122894D+02  0.829081D+01
      6   0.350988D+01  0.753496D+00 -0.133804D+02  0.962984D+00 -0.509173D+01
                46            47            48            49            50 
      1  -0.181812D+01  0.342748D+01 -0.592516D+01  0.286026D+01 -0.634858D+01
      2  -0.560531D+00 -0.982620D+00 -0.150702D+01 -0.821086D+00  0.245403D+01
      3   0.237865D+01 -0.244486D+01  0.743218D+01 -0.203918D+01  0.389455D+01
      4  -0.748985D+00  0.241596D+01 -0.223941D+00  0.379509D+01  0.239650D+01
      5   0.296652D+01 -0.809510D+00  0.319889D+01 -0.162852D+01 -0.294953D+01
      6  -0.213678D+01  0.292367D+01 -0.398796D+01  0.205293D+00 -0.921322D+01
                51            52            53            54            55 
      1   0.996085D+01 -0.433142D+01  0.973447D+01 -0.211308D+02  0.136441D+02
      2   0.814870D-01  0.114699D+01 -0.279522D+00 -0.107177D+02 -0.776981D+01
      3  -0.100423D+02  0.318443D+01 -0.945495D+01  0.318485D+02 -0.587433D+01
      4  -0.301982D+01 -0.656075D+00 -0.340525D+01  0.389137D+01 -0.862630D+01
      5   0.369911D+01  0.556468D+01  0.318812D+01 -0.946022D+01 -0.102154D+02
      6   0.122188D+02 -0.138249D+01  0.120824D+02 -0.163191D+02  0.518537D+01
                56            57            58            59            60 
      1  -0.621091D+01 -0.319414D+01 -0.891142D+01  0.328445D+01  0.160803D+01
      2   0.481006D+01  0.401950D+01  0.602163D+01  0.668003D+00 -0.398798D+01
      3   0.140085D+01 -0.825362D+00  0.288979D+01 -0.395246D+01  0.237995D+01
      4   0.110041D+02  0.433703D+01  0.126457D+02 -0.162132D+02 -0.522955D+01
      5   0.713563D+01  0.732844D+01  0.103428D+02 -0.807265D+01 -0.889878D+01
      6  -0.560592D+01 -0.379884D+01 -0.665341D+01  0.125001D+02  0.774866D+01
                61            62            63            64            65 
      1  -0.206733D+01  0.189410D+01 -0.113317D+01  0.235553D+02  0.964213D+01
      2   0.374531D+01 -0.301601D+01 -0.391897D+01 -0.643046D+01  0.105028D+01
      3  -0.167798D+01  0.112191D+01  0.505214D+01 -0.171249D+02 -0.106924D+02
      4   0.398149D+01 -0.381738D+01 -0.376538D+01  0.159189D+02  0.140946D+02
      5   0.706592D+01 -0.575892D+01 -0.700664D+01 -0.189961D+01 -0.989456D-01
      6  -0.399992D+01  0.675929D+01  0.336172D+01 -0.173589D+01 -0.284720D+01
                66            67            68            69            70 
      1   0.418514D+01  0.109212D+02  0.546203D+01  0.318405D+01  0.803225D+01
      2  -0.181207D+00  0.807337D+00  0.606280D+01  0.177623D+01 -0.198613D+01
      3  -0.400394D+01 -0.117286D+02 -0.115248D+02 -0.496029D+01 -0.604613D+01
      4   0.349746D+01  0.155112D+02  0.146238D+02  0.235799D+01  0.613601D+01
      5   0.469687D+01 -0.766825D+00 -0.111685D+01  0.369081D+01  0.362476D+01
      6   0.380275D+00 -0.280049D+01 -0.203742D+01  0.342060D+01  0.559814D+00
                71            72            73            74            75 
      1   0.335001D+01  0.152233D+01  0.765232D+01 -0.546459D+00  0.352789D+01
      2   0.223915D+01 -0.172492D+00 -0.857417D+01  0.167149D+01 -0.934471D+01
      3  -0.558916D+01 -0.134984D+01  0.921848D+00 -0.112503D+01  0.581682D+01
      4   0.529861D+01  0.387743D+01  0.147279D+01  0.301131D+01 -0.556873D+00
      5   0.271068D+01  0.456261D+01  0.104791D+02 -0.286811D+01  0.133753D+02
      6   0.240981D+01  0.111616D+01  0.456831D+00  0.250669D+00  0.217953D+01
                76            77            78            79            80 
      1  -0.245110D+01 -0.157138D+01 -0.546460D+00  0.386487D+01 -0.177076D+01
      2   0.336728D+01 -0.974929D+00  0.719120D+01 -0.104547D+02  0.594894D+01
      3  -0.916180D+00  0.254630D+01 -0.664474D+01  0.658988D+01 -0.417818D+01
      4   0.220856D+01 -0.368812D+01  0.284363D+01  0.192697D+00  0.381703D+01
      5  -0.565997D+01  0.339104D+01 -0.677246D+01  0.150156D+02 -0.337931D+01
      6   0.518981D+00 -0.244190D+01  0.358387D+01  0.232010D+01  0.497637D+01
                81            82            83            84            85 
      1  -0.318830D+01  0.269312D+02  0.607223D+01 -0.817550D+01  0.462983D+01
      2  -0.198077D+02 -0.822984D+01  0.127405D+01  0.737676D+00  0.166413D+01
      3   0.229960D+02 -0.187014D+02 -0.734628D+01  0.743783D+01 -0.629395D+01
      4  -0.405302D-01  0.179153D+02  0.110254D+02 -0.609719D+01  0.961362D+01
      5   0.218608D+02 -0.426074D+01 -0.152001D+01  0.764377D+01 -0.137565D+01
      6   0.453546D+01 -0.410488D+01 -0.219741D+01  0.466421D+01 -0.254930D+01
                86            87            88            89            90 
      1   0.997551D+00 -0.200184D+01 -0.117290D+02 -0.214631D+01  0.527750D+01
      2   0.448160D+01 -0.205876D+00  0.244316D+01 -0.161583D+01 -0.328440D+01
      3  -0.547916D+01  0.220772D+01  0.928585D+01  0.376214D+01 -0.199310D+01
      4   0.689882D+01 -0.412999D+01 -0.934426D+01 -0.704023D+01  0.483567D+01
      5  -0.186916D+01  0.566234D+00  0.757558D+01  0.151711D+01 -0.695177D+01
      6  -0.424361D+00  0.325159D+01  0.450399D+01  0.322704D+01 -0.594334D+01
                91            92            93            94            95 
      1  -0.208768D+01  0.841822D+01  0.243568D+01  0.657230D+01 -0.231510D+02
      2   0.406947D+01 -0.103849D+02 -0.204714D+01 -0.611640D+01  0.337453D+02
      3  -0.198180D+01  0.196667D+01 -0.388543D+00 -0.455904D+00 -0.105943D+02
      4  -0.388307D+01  0.427430D+01  0.224320D+00  0.570378D+01  0.435377D+01
      5  -0.315471D+01  0.184934D+01  0.218593D+01  0.238896D+01 -0.354618D+00
      6   0.242705D+01 -0.624858D+01 -0.449753D+01 -0.328135D+01  0.183924D+02
                96            97            98            99           100 
      1  -0.830312D+01  0.118609D+01 -0.764527D+01 -0.511229D+01  0.475656D+01
      2   0.744036D+01 -0.176024D+01  0.655032D+01  0.224070D+01  0.418466D+00
      3   0.862766D+00  0.574151D+00  0.109494D+01  0.287159D+01 -0.517502D+01
      4   0.113283D+01 -0.791882D-02  0.102606D+01  0.424257D+00 -0.911044D+01
      5   0.327695D+00  0.303148D+01 -0.199584D+00  0.147956D+01  0.368584D+01
      6   0.114068D+02 -0.187882D+01  0.105651D+02  0.703256D+01 -0.381759D+01
               101           102           103           104           105 
      1  -0.173009D+01  0.109574D+01 -0.109202D+01 -0.571342D+01  0.164533D+01
      2  -0.327666D+01  0.272770D+01 -0.363074D+01  0.141302D+02 -0.672898D+01
      3   0.500675D+01 -0.382344D+01  0.472276D+01 -0.841676D+01  0.508364D+01
      4   0.897020D+01 -0.566082D+01  0.810704D+01 -0.942047D+01  0.713654D+01
      5  -0.325661D+01  0.699994D+01 -0.285067D+01  0.442220D+01 -0.378625D+01
      6   0.496466D+01 -0.559708D+01  0.490188D+01 -0.830627D+01  0.101115D+02
               106           107           108           109           110 
      1   0.210933D+01  0.364123D+01 -0.263254D+01 -0.278166D+01 -0.878102D+01
      2   0.260542D+01 -0.102863D+02  0.306303D+01  0.444311D+01  0.130744D+02
      3  -0.471475D+01  0.664506D+01 -0.430489D+00 -0.166145D+01 -0.429341D+01
      4  -0.865688D+01  0.102789D+02 -0.810698D+01  0.938376D+01  0.764522D+01
      5   0.747518D+01 -0.503861D+01  0.962723D+01  0.307915D+01  0.187216D+01
      6  -0.630483D+01  0.118268D+02 -0.160724D+02  0.559970D+01  0.841322D+01
               111           112           113           114           115 
      1  -0.560410D+01 -0.651127D+01 -0.166785D+02 -0.823855D+01 -0.475549D+01
      2   0.424013D+01  0.843293D+01  0.250638D+02  0.796981D+01  0.382751D+01
      3   0.136397D+01 -0.192166D+01 -0.838522D+01  0.268736D+00  0.927986D+00
      4   0.409465D+01  0.727659D+01  0.539826D+01  0.308106D+01  0.421099D+01
      5   0.383397D+01  0.124667D+01  0.160867D+01  0.220606D+00  0.419075D+01
      6   0.663156D+01  0.578643D+01  0.135530D+02  0.112167D+02  0.378256D+01
               116           117           118           119           120 
      1  -0.889076D+01 -0.744042D+01  0.192371D+02  0.396237D+00 -0.763979D+01
      2   0.872729D+01  0.428946D+01 -0.140181D+02 -0.249729D+01  0.101804D+02
      3   0.163472D+00  0.315096D+01 -0.521901D+01  0.210105D+01 -0.254057D+01
      4   0.289646D+01  0.153257D+01 -0.121692D+02  0.643942D+01  0.652324D+01
      5   0.406920D+00  0.124287D+01 -0.163660D+02  0.994652D+00  0.138532D+02
      6   0.123332D+02  0.102341D+02  0.699950D+01 -0.177497D+01 -0.686576D+01
               121           122           123           124           125 
      1   0.271710D+01  0.850404D+00 -0.141360D+01 -0.830156D+01 -0.172078D+01
      2  -0.315265D+01 -0.770217D+00  0.314173D+01  0.104226D+02  0.293591D+01
      3   0.435555D+00 -0.801870D-01 -0.172813D+01 -0.212104D+01 -0.121513D+01
      4   0.367755D+01  0.729330D+00 -0.132635D+01  0.730155D+01 -0.268350D+01
      5  -0.179760D+01 -0.218133D+01  0.150170D+01  0.141044D+02 -0.139934D+01
      6  -0.855270D+00  0.116700D+00  0.305697D+01 -0.649745D+01  0.520721D+01
               126           127           128           129           130 
      1   0.210805D+01  0.508608D+01 -0.212322D+01 -0.257109D+00 -0.243452D+01
      2  -0.911717D+01  0.181391D+01 -0.760781D+01 -0.114025D+01 -0.755327D+01
      3   0.700912D+01 -0.689999D+01  0.973103D+01  0.139735D+01  0.998779D+01
      4  -0.634282D+01 -0.108304D+02  0.131267D+02 -0.508295D+00  0.135922D+02
      5  -0.135287D+02  0.490978D+01 -0.396985D+01  0.453345D+01 -0.463280D+01
      6   0.730054D+01 -0.439706D+01  0.643090D+01 -0.135220D+01  0.623889D+01
               131           132           133           134           135 
      1  -0.627036D+01  0.266665D+01 -0.102993D+01  0.570294D+00 -0.661860D+00
      2   0.240597D+02  0.124961D+01 -0.104262D+01  0.393882D+01  0.164432D+01
      3  -0.177893D+02 -0.391626D+01  0.207255D+01 -0.450911D+01 -0.982464D+00
      4  -0.185591D+02  0.519439D+00  0.210623D+01 -0.243228D+01 -0.188797D+01
      5   0.592107D+01 -0.215000D+01  0.270231D+01 -0.106970D+01 -0.107958D+01
      6  -0.136829D+02  0.630226D+01 -0.590795D+00  0.345376D+01  0.734269D+00
               136           137           138           139           140 
      1  -0.238115D+01 -0.362247D+01  0.919547D+01 -0.265085D+01 -0.384530D+01
      2  -0.430999D+01  0.404906D+00  0.542048D+01 -0.357407D+00  0.242423D+01
      3   0.669114D+01  0.321756D+01 -0.146160D+02  0.300826D+01  0.142107D+01
      4   0.658150D+01  0.455666D+01 -0.409557D+01  0.448710D+01  0.935896D+00
      5  -0.129649D+02 -0.291471D+01  0.114360D+02 -0.208393D+01 -0.208550D+01
      6  -0.531118D+01 -0.667962D+01  0.907692D+01 -0.384967D+01 -0.623462D+01
               141           142           143           144           145 
      1   0.497012D+01  0.728131D+01  0.524432D+01 -0.147348D+02  0.103135D+02
      2  -0.106849D+01  0.286862D+01 -0.472085D+00 -0.990023D+01 -0.127579D+02
      3  -0.390163D+01 -0.101499D+02 -0.477224D+01  0.246351D+02  0.244443D+01
      4  -0.237538D+01 -0.359183D+01 -0.215573D+01  0.413274D+01  0.211580D+01
      5   0.322238D+01  0.103582D+02  0.335701D+01 -0.919743D+01  0.168821D+02
      6   0.822245D+01  0.630065D+01  0.820648D+01 -0.117343D+02  0.329494D+01
               146           147           148           149           150 
      1   0.319915D+01  0.304722D+01  0.438129D+01  0.861986D+00 -0.129859D+01
      2  -0.608079D+01 -0.982110D+01 -0.717694D+01 -0.176741D+01 -0.659712D+01
      3   0.288164D+01  0.677388D+01  0.279565D+01  0.905427D+00  0.789571D+01
      4   0.525289D+01  0.706459D+00  0.498352D+01  0.423912D+01  0.223070D+01
      5   0.585159D+01  0.147562D+02  0.900588D+01  0.663754D+01  0.900254D+01
      6   0.581491D+01  0.341495D+01  0.552479D+01  0.804400D+01  0.584430D+01
               151           152           153 
      1   0.261110D+01 -0.143889D+00 -0.284967D+01
      2  -0.867524D+01 -0.443151D+01 -0.115302D+02
      3   0.606414D+01  0.457540D+01  0.143798D+02
      4   0.438522D+00  0.131377D+01  0.199666D+01
      5   0.128456D+02  0.591915D+01  0.124489D+02
      6   0.354452D+01  0.542169D+01  0.356128D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633546D+02      0.938818D+01      0.104458D+02
   yx         0.121158D-03      0.179538D-04      0.199763D-04
   yy         0.633541D+02      0.938811D+01      0.104457D+02
   zx         0.333036D-03      0.493509D-04      0.549102D-04
   zy        -0.264101D-03     -0.391358D-04     -0.435445D-04
   zz         0.633545D+02      0.938818D+01      0.104458D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.674829D+02      0.999994D+01      0.111264D+02
   aniso      0.652323D-01      0.966644D-02      0.107554D-01
   xx         0.674778D+02      0.999918D+01      0.111256D+02
   yx        -0.714449D-02     -0.105870D-02     -0.117797D-02
   yy         0.674823D+02      0.999984D+01      0.111263D+02
   zx        -0.253920D-01     -0.376270D-02     -0.418657D-02
   zy        -0.263301D-01     -0.390172D-02     -0.434125D-02
   zz         0.674886D+02      0.100008D+02      0.111274D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.00006055         -0.00007651         -0.00001353
     6          0.26199265         -1.77261299          2.27711133
     6         -2.54545341          1.37771086          0.13617662
     6          0.13192758         -1.54554826         -2.44740813
     6          2.15152905          1.94045127          0.03412943
     1         -1.25041329         -3.17768895          2.29985295
     1          0.17452146         -0.71848890          4.05005430
     1          2.06294517         -2.78069269          2.22733027
     1         -4.11526103          0.03703414          0.11598678
     1         -2.78261760          2.65548456         -1.46793631
     1         -2.69011405          2.49703053          1.86485568
     1         -1.38323263         -2.94587518         -2.52154311
     1          1.93017173         -2.54907315         -2.59353793
     1         -0.04999630         -0.32654111         -4.10361462
     1          2.10266961          3.07012067          1.76144186
     1          2.01060408          3.23088338         -1.57120866
     1          3.99110567          1.00827616         -0.06164630

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.000000D+00      0.000000D+00      0.000000D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.000000D+00      0.000000D+00      0.000000D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.633544D+02      0.938816D+01      0.104457D+02
   aniso      0.874521D-03      0.129591D-03      0.144189D-03
   xx         0.633548D+02      0.938821D+01      0.104458D+02
   yx         0.188283D-03      0.279007D-04      0.310437D-04
   yy         0.633544D+02      0.938816D+01      0.104457D+02
   zx         0.194597D-03      0.288364D-04      0.320848D-04
   zy        -0.158742D-03     -0.235231D-04     -0.261730D-04
   zz         0.633540D+02      0.938810D+01      0.104457D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.674829D+02      0.999994D+01      0.111264D+02
   aniso      0.652323D-01      0.966644D-02      0.107554D-01
   xx         0.674497D+02      0.999501D+01      0.111209D+02
   yx         0.177877D-01      0.263587D-02      0.293280D-02
   yy         0.675054D+02      0.100033D+02      0.111301D+02
   zx         0.335872D-02      0.497710D-03      0.553777D-03
   zy        -0.150926D-01     -0.223649D-02     -0.248843D-02
   zz         0.674936D+02      0.100015D+02      0.111282D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F15-04\Freq\RM11\Gen\C5H12\PIERPA\27-Jan-2022\0\\#P M11/G
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 KNIGHT- SIRE, I'VE JUST RETURNED FROM THE FRONT
 KING-   HOW GOES THE BATTLE                    
 KNIGHT- THE SITUATION IS QUITE FLUID           
 KING-   WHAT DOES *THAT* MEAN                  
 KNIGHT- WE'RE UP THE CREEK                     
                THE WIZARD OF ID                
 Job cpu time:       0 days  2 hours  7 minutes 58.4 seconds.
 Elapsed time:       0 days  0 hours 16 minutes 19.3 seconds.
 File lengths (MBytes):  RWF=    129 Int=      0 D2E=      0 Chk=      5 Scr=      1
 Normal termination of Gaussian 16 at Thu Jan 27 18:49:21 2022.
